Structure & Deep Data of Trans-Decahydroquinoline (C9H17N)
Identification of Trans-Decahydroquinoline Chemical Compound
| Chemical Formula | C9H17N |
|---|---|
| Molecular Weight | 139.23798 g/mol |
| IUPAC Name | (4aS,8aR)-decahydroquinoline |
| SMILES String | C2CCC1NCCCC1C2 |
| InChI | InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9+/m0/s1 |
| InChIKey | POTIYWUALSJREP-DTWKUNHWSA-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 trans-Decahydroquinoline molecule contains a total of 28 bond(s). There are 11 non-H bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), and 1 secondary amine(s) (aliphatic). Images of the chemical structure of trans-Decahydroquinoline are given below:
The 2D chemical structure image of trans-Decahydroquinoline is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of trans-Decahydroquinoline 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 trans-Decahydroquinoline 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 trans-Decahydroquinoline. 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 trans-Decahydroquinoline is provided here.
The trans-Decahydroquinoline 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 trans-Decahydroquinoline 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 trans-Decahydroquinoline 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 Trans-Decahydroquinoline Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of trans-Decahydroquinoline
The SMILES string of trans-Decahydroquinoline is C2CCC1NCCCC1C2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the trans-Decahydroquinoline.
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Structure Data File (SDF/MOL File) of trans-Decahydroquinoline
The structure data file (SDF/MOL File) of trans-Decahydroquinoline is available for download in the SDF page of trans-Decahydroquinoline, which provides the information about the atoms, bonds, connectivity and coordinates of trans-Decahydroquinoline. The trans-Decahydroquinoline structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of trans-Decahydroquinoline
The molecular formula of trans-Decahydroquinoline is available in chemical formula page of trans-Decahydroquinoline, 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 trans-Decahydroquinoline
The molecular weight of trans-Decahydroquinoline is available in molecular weight page of trans-Decahydroquinoline, 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 trans-Decahydroquinoline
The trans-Decahydroquinoline compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of trans-Decahydroquinoline including the various registry numbers, if available:
- (4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
- Quinoline, decahydro-,(4aR,8aS)-rel-
- ANW-36885
- (4abeta,8aalpha)-Decahydroquinoline
- (+/-)-trans-decahydroquinoline
- Decahydroquinoline, (E)-
- 767-92-0
- trans-Decahydroquinoline
Trans-Decahydroquinoline Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of trans-Decahydroquinoline? |
|---|
| C9H17N |
| How many atoms and what are the elements included the trans-Decahydroquinoline molecule? |
| 27 atom(s) - 17 Hydrogen atom(s), 9 Carbon atom(s), and 1 Nitrogen atom(s) |
| How many chemical bonds and what kind of bonds are included the trans-Decahydroquinoline structure? |
| 28 bond(s) - 11 non-H bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), and 1 secondary amine(s) (aliphatic) |
| What’s the trans-Decahydroquinoline’s molecular weight? |
| 139.23798 g/mol |
| What’s the SMILES code of trans-Decahydroquinoline? |
| C2CCC1NCCCC1C2 |
| What’s the InChI string of trans-Decahydroquinoline? |
| InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2/t8-,9+/m0/s1 |
| What’s the InChIKey code of trans-Decahydroquinoline? |
| POTIYWUALSJREP-DTWKUNHWSA-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).