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Molecule
N-2-Propen-1-Ylcyclohexanamine
CAS: 6628-00-8 · C9H17N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6628-00-8
- Molecular Formula
- C9H17N
- Molecular Mass
- 139.24 g/mol
Identifiers
CAS Registry Number
6628-00-8
SMILES
C=CCNC1CCCCC1
InChI Key
SQGBZKZDUMBTIJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2
Names and Synonyms
- N-2-Propen-1-Ylcyclohexanamine Synonym
- Cyclohexanamine, N-2-propen-1-yl- Synonym
- Cyclohexanamine, N-2-propenyl- Synonym
- N-2-Propen-1-ylcyclohexanamine Synonym
- N-Allylcyclohexylamine Synonym
- Allylcyclohexylamine Synonym
- N-Cyclohexylallylamine Synonym
- N-Allylcyclohexanamine Synonym
- N-Allyl-N-cyclohexylamine Synonym
- (Allylamino)cyclohexane Synonym
- Cyclohexyl(2-propenyl)amine Synonym
- NSC 60272 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 139.24 g/mol | CAS Common Chemistry |
| 139.242 g/mol | RDKit | |
| Canonical SMILES | C=CCNC1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H17N/c1-2-8-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SQGBZKZDUMBTIJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-2-Propen-1-ylcyclohexanamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 2.0947 | RDKit |
| Molar Refractivity | 45.07270000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7778 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 139.136099544 g/mol | RDKit |
| Boiling Point | 36-41 °C @ 3.3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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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MW = 139.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H17N.
