Structure & Deep Data of Bis(5-hydroxypentyl)amine (C10H23NO2)
Identification of Bis(5-hydroxypentyl)amine Chemical Compound
Chemical Formula | C10H23NO2 |
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Molecular Weight | 189.29512 g/mol |
IUPAC Name | 5-[(5-hydroxypentyl)amino]pentan-1-ol |
SMILES String | OCCCCCNCCCCCO |
InChI | InChI=1S/C10H23NO2/c12-9-5-1-3-7-11-8-4-2-6-10-13/h11-13H,1-10H2 |
InChIKey | YELBDMQEYQPIDK-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 bis(5-hydroxypentyl)amine molecule contains a total of 35 bond(s). There are 12 non-H bond(s), 10 rotatable bond(s), 1 secondary amine(s) (aliphatic), 2 hydroxyl group(s), and 2 primary alcohol(s). Images of the chemical structure of bis(5-hydroxypentyl)amine are given below:
The 2D chemical structure image of bis(5-hydroxypentyl)amine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of bis(5-hydroxypentyl)amine 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 bis(5-hydroxypentyl)amine 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 bis(5-hydroxypentyl)amine. Download structure data file (SDF/MOL) file of this compound.
chemical table area
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of bis(5-hydroxypentyl)amine is provided here.
The bis(5-hydroxypentyl)amine 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 bis(5-hydroxypentyl)amine 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 bis(5-hydroxypentyl)amine 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 Bis(5-hydroxypentyl)amine Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of bis(5-hydroxypentyl)amine
The SMILES string of bis(5-hydroxypentyl)amine is OCCCCCNCCCCCO, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the bis(5-hydroxypentyl)amine.
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Structure Data File (SDF/MOL File) of bis(5-hydroxypentyl)amine
The structure data file (SDF/MOL File) of bis(5-hydroxypentyl)amine is available for download in the SDF page of bis(5-hydroxypentyl)amine, which provides the information about the atoms, bonds, connectivity and coordinates of bis(5-hydroxypentyl)amine. The bis(5-hydroxypentyl)amine structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of bis(5-hydroxypentyl)amine
The molecular formula of bis(5-hydroxypentyl)amine is available in chemical formula page of bis(5-hydroxypentyl)amine, 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 bis(5-hydroxypentyl)amine
The molecular weight of bis(5-hydroxypentyl)amine is available in molecular weight page of bis(5-hydroxypentyl)amine, 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 bis(5-hydroxypentyl)amine
The bis(5-hydroxypentyl)amine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of bis(5-hydroxypentyl)amine including the various registry numbers, if available:
- 5,5'-Iminobis(1-pentanol)
- 34891-25-3
- bis(5-hydroxypentyl)amine
Bis(5-hydroxypentyl)amine Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of bis(5-hydroxypentyl)amine? |
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C10H23NO2 |
How many atoms and what are the elements included the bis(5-hydroxypentyl)amine molecule? |
36 atom(s) - 23 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are included the bis(5-hydroxypentyl)amine structure? |
35 bond(s) - 12 non-H bond(s), 10 rotatable bond(s), 1 secondary amine(s) (aliphatic), 2 hydroxyl group(s), and 2 primary alcohol(s) |
What’s the bis(5-hydroxypentyl)amine’s molecular weight? |
189.29512 g/mol |
What’s the SMILES code of bis(5-hydroxypentyl)amine? |
OCCCCCNCCCCCO |
What’s the InChI string of bis(5-hydroxypentyl)amine? |
InChI=1S/C10H23NO2/c12-9-5-1-3-7-11-8-4-2-6-10-13/h11-13H,1-10H2 |
What’s the InChIKey code of bis(5-hydroxypentyl)amine? |
YELBDMQEYQPIDK-UHFFFAOYSA-N |
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The contents of this page can freely be shared if cited as follows:
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).