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Isopropylcyclohexylamine
CAS: 1195-42-2 | C9H19N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1195-42-2
Molecular Formula:
C9H19N
Molecular Weight:
141.25799999999998 g/mol
Names and Synonyms:
Isopropylcyclohexylamine
N-Isopropyl-N-cyclohexylamine
NSC 86132
N-Cyclohexylisopropylamine
N-Isopropylcyclohexanamine
Isopropylcyclohexylamine
N-Cyclohexyl-N-isopropylamine
Cyclohexylisopropylamine
N-Isopropylcyclohexylamine
N-(1-Methylethyl)cyclohexanamine
Cyclohexylamine, N-isopropyl-
Cyclohexanamine, N-(1-methylethyl)-
Identifiers:
SMILES:
CC(C)NC1CCCCC1
InChI:
InChI=1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
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 | 141.25799999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.151749608 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.3171 | RDKit |
| molecular_mass | 141.26 g/mol | Legacy Database |
| cas-boiling-point | 169-171 °C None | Legacy Database |
| cas-canonical-smile | N(C(C)C)C1CCCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UYYCVBASZNFFRX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Isopropylcyclohexylamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.144700000000014 | RDKit |
