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Molecule
(-)-1-Cyclohexylethylamine
CAS: 5913-13-3 · C8H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5913-13-3
- Molecular Formula
- C8H17N
- Molecular Mass
- 127.23 g/mol
Identifiers
CAS Registry Number
5913-13-3
SMILES
C[C@@H](N)C1CCCCC1
InChI Key
XBWOPGDJMAJJDG-SSDOTTSWSA-N
InChI
InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1
Names and Synonyms
- (-)-1-Cyclohexylethylamine Synonym
- Cyclohexanemethanamine, α-methyl-, (αR)- Synonym
- Cyclohexanemethylamine, α-methyl-, (R)-(-)- Synonym
- Cyclohexanemethanamine, α-methyl-, (R)- Synonym
- (αR)-α-Methylcyclohexanemethanamine Synonym
- (R)-1-Cyclohexylethylamine Synonym
- (-)-1-Cyclohexylethylamine Synonym
- (R)-(-)-1-Cyclohexylethylamine Synonym
- (R)-1-(1-Aminoethyl)cyclohexane Synonym
- (1R)-1-Amino-1-cyclohexylethane Synonym
- (1R)-1-Cyclohexylethylamine Synonym
- (R)-(-)-Cyclohexylethylamine Synonym
- (R)-1-Cyclohexylethanamine Synonym
- (R)-(-)-1-Cyclohexylethan-1-amine Synonym
- (R)-1-Cyclohexylethanamine Synonym
- (1R)-1-Cyclohexylethan-1-amine Synonym
- (1R)-1-Cyclohexylethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.23 g/mol | CAS Common Chemistry |
| 127.23100000000001 g/mol | RDKit | |
| 127.231 g/mol | RDKit | |
| Canonical SMILES | NC(C)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XBWOPGDJMAJJDG-SSDOTTSWSA-N | CAS Common Chemistry |
| Name | (-)-1-Cyclohexylethylamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.9139000000000002 | RDKit |
| 1.9139 | RDKit | |
| Molar Refractivity | 40.22440000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 127.136099544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 127.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H17N.
