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Molecule
Isopropylcyclohexylamine
CAS: 1195-42-2 · C9H19N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1195-42-2
- Molecular Formula
- C9H19N
- Molecular Mass
- 141.26 g/mol
Identifiers
CAS Registry Number
1195-42-2
SMILES
CC(C)NC1CCCCC1
InChI Key
UYYCVBASZNFFRX-UHFFFAOYSA-N
InChI
InChI=1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
Names and Synonyms
- Isopropylcyclohexylamine Common Name
- Cyclohexanamine, N-(1-methylethyl)- Synonym
- Cyclohexylamine, N-isopropyl- Synonym
- N-(1-Methylethyl)cyclohexanamine Synonym
- N-Isopropylcyclohexylamine Synonym
- Cyclohexylisopropylamine Synonym
- N-Cyclohexyl-N-isopropylamine Synonym
- Isopropylcyclohexylamine Synonym
- N-Isopropylcyclohexanamine Synonym
- N-Cyclohexylisopropylamine Synonym
- NSC 86132 Synonym
- N-Isopropyl-N-cyclohexylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 141.26 g/mol | CAS Common Chemistry |
| 141.25799999999998 g/mol | RDKit | |
| 141.258 g/mol | RDKit | |
| Boiling Point | 169-171 °C | CAS Common Chemistry |
| Canonical SMILES | N(C(C)C)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H19N/c1-8(2)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UYYCVBASZNFFRX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Isopropylcyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.3171 | RDKit |
| Molar Refractivity | 45.144700000000014 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 141.151749608 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 141.26 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H19N.
