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Molecule
Methylcyclohexylamine
CAS: 100-60-7 · C7H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-60-7
- Molecular Formula
- C7H15N
- Molecular Mass
- 113.20 g/mol
Identifiers
CAS Registry Number
100-60-7
SMILES
CNC1CCCCC1
InChI Key
XTUVJUMINZSXGF-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
Names and Synonyms
- Methylcyclohexylamine Common Name
- Cyclohexanamine, N-methyl- Synonym
- Cyclohexylamine, N-methyl- Synonym
- N-Methylcyclohexanamine Synonym
- N-Methylcyclohexylamine Synonym
- Cyclohexylmethylamine Synonym
- Methylcyclohexylamine Synonym
- N-Methyl-N-cyclohexylamine Synonym
- N-Cyclohexylmethylamine Synonym
- N-Cyclohexyl-N-methylamine Synonym
- (Methylamino)cyclohexane Synonym
- NSC 434 Synonym
- SC 79B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.20 g/mol | CAS Common Chemistry |
| 113.20400000000001 g/mol | RDKit | |
| 113.204 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.8518 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 147 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XTUVJUMINZSXGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methylcyclohexylamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.5385 | RDKit |
| Molar Refractivity | 35.9327 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.12044947999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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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Quick conversion
MW = 113.20 g/mol; density = 0.850 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15N.
