Structure & Deep Data of N4-(cyclopropylmethyl)pyridine-3,4-diamine (C9H13N3)
Identification of N4-(cyclopropylmethyl)pyridine-3,4-diamine Chemical Compound
Chemical Formula | C9H13N3 |
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Molecular Weight | 163.21962 g/mol |
IUPAC Name | 4-N-(cyclopropylmethyl)pyridine-3,4-diamine |
SMILES String | Nc1cnccc1NCC2CC2 |
InChI | InChI=1S/C9H13N3/c10-8-6-11-4-3-9(8)12-5-7-1-2-7/h3-4,6-7H,1-2,5,10H2,(H,11,12) |
InChIKey | YQYUTDYRFPKXTM-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The N4-(cyclopropylmethyl)pyridine-3,4-diamine molecule contains a total of 26 bond(s). There are 13 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 6 aromatic bond(s), 1 three-membered ring(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), 1 secondary amine(s) (aromatic), and 1 Pyridine(s). Images of the chemical structure of N4-(cyclopropylmethyl)pyridine-3,4-diamine are given below:
The 2D chemical structure image of N4-(cyclopropylmethyl)pyridine-3,4-diamine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of N4-(cyclopropylmethyl)pyridine-3,4-diamine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of N4-(cyclopropylmethyl)pyridine-3,4-diamine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of N4-(cyclopropylmethyl)pyridine-3,4-diamine. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of N4-(cyclopropylmethyl)pyridine-3,4-diamine is provided here.
The N4-(cyclopropylmethyl)pyridine-3,4-diamine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the N4-(cyclopropylmethyl)pyridine-3,4-diamine molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of N4-(cyclopropylmethyl)pyridine-3,4-diamine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying N4-(cyclopropylmethyl)pyridine-3,4-diamine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of N4-(cyclopropylmethyl)pyridine-3,4-diamine
The SMILES string of N4-(cyclopropylmethyl)pyridine-3,4-diamine is Nc1cnccc1NCC2CC2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the N4-(cyclopropylmethyl)pyridine-3,4-diamine.
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Structure Data File (SDF/MOL File) of N4-(cyclopropylmethyl)pyridine-3,4-diamine
The structure data file (SDF/MOL File) of N4-(cyclopropylmethyl)pyridine-3,4-diamine is available for download in the SDF page of N4-(cyclopropylmethyl)pyridine-3,4-diamine, which provides the information about the atoms, bonds, connectivity and coordinates of N4-(cyclopropylmethyl)pyridine-3,4-diamine. The N4-(cyclopropylmethyl)pyridine-3,4-diamine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of N4-(cyclopropylmethyl)pyridine-3,4-diamine
The molecular formula of N4-(cyclopropylmethyl)pyridine-3,4-diamine is available in chemical formula page of N4-(cyclopropylmethyl)pyridine-3,4-diamine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of N4-(cyclopropylmethyl)pyridine-3,4-diamine
The molecular weight of N4-(cyclopropylmethyl)pyridine-3,4-diamine is available in molecular weight page of N4-(cyclopropylmethyl)pyridine-3,4-diamine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of N4-(cyclopropylmethyl)pyridine-3,4-diamine
The N4-(cyclopropylmethyl)pyridine-3,4-diamine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of N4-(cyclopropylmethyl)pyridine-3,4-diamine including the various registry numbers, if available:
- N~4~-(Cyclopropylmethyl)pyridine-3,4-diamine
- BBV-217343
- 1040043-50-2
- N4-(cyclopropylmethyl)pyridine-3,4-diamine
N4-(cyclopropylmethyl)pyridine-3,4-diamine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of N4-(cyclopropylmethyl)pyridine-3,4-diamine? |
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C9H13N3 |
How many atoms and what are the elements included the N4-(cyclopropylmethyl)pyridine-3,4-diamine molecule? |
25 atom(s) - 13 Hydrogen atom(s), 9 Carbon atom(s), and 3 Nitrogen atom(s) |
How many chemical bonds and what kind of bonds are included the N4-(cyclopropylmethyl)pyridine-3,4-diamine structure? |
26 bond(s) - 13 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 6 aromatic bond(s), 1 three-membered ring(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), 1 secondary amine(s) (aromatic), and 1 Pyridine(s) |
What’s the N4-(cyclopropylmethyl)pyridine-3,4-diamine’s molecular weight? |
163.21962 g/mol |
What’s the SMILES code of N4-(cyclopropylmethyl)pyridine-3,4-diamine? |
Nc1cnccc1NCC2CC2 |
What’s the InChI string of N4-(cyclopropylmethyl)pyridine-3,4-diamine? |
InChI=1S/C9H13N3/c10-8-6-11-4-3-9(8)12-5-7-1-2-7/h3-4,6-7H,1-2,5,10H2,(H,11,12) |
What’s the InChIKey code of N4-(cyclopropylmethyl)pyridine-3,4-diamine? |
YQYUTDYRFPKXTM-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).