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(-)-1-Cyclohexylethylamine
CAS: 5913-13-3 | C8H17N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5913-13-3
Molecular Formula:
C8H17N
Molecular Mass:
127.23 g/mol
Names and Synonyms:
(-)-1-Cyclohexylethylamine
Cyclohexanemethanamine, α-methyl-, (αR)-
Cyclohexanemethylamine, α-methyl-, (R)-(-)-
Cyclohexanemethanamine, α-methyl-, (R)-
(αR)-α-Methylcyclohexanemethanamine
(R)-1-Cyclohexylethylamine
(-)-1-Cyclohexylethylamine
(R)-(-)-1-Cyclohexylethylamine
(R)-1-(1-Aminoethyl)cyclohexane
(1R)-1-Amino-1-cyclohexylethane
(1R)-1-Cyclohexylethylamine
(R)-(-)-Cyclohexylethylamine
(R)-1-Cyclohexylethanamine
(R)-(-)-1-Cyclohexylethan-1-amine
(R)-1-Cyclohexylethanamine
(1R)-1-Cyclohexylethan-1-amine
(1R)-1-Cyclohexylethanamine
Identifiers:
SMILES:
C[C@@H](N)C1CCCCC1
InChI:
InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 127.23 g/mol | CAS Common Chemistry |
| 127.23100000000001 g/mol | RDKit | |
| 127.136099544 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 |
| Molar Refractivity | 40.22440000000001 | RDKit |
