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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 Weight:
127.23100000000001 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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 127.23100000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 127.136099544 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9139000000000002 | RDKit |
| molecular_mass | 127.23 g/mol | Legacy Database |
| cas-canonical-smile | NC(C)C1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=XBWOPGDJMAJJDG-SSDOTTSWSA-N None | Legacy Database |
| cas-name | (-)-1-Cyclohexylethylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.22440000000001 | RDKit |
