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Molecule
(Cyclopropylmethyl)Propylamine
CAS: 26389-60-6 · C7H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 26389-60-6
- Molecular Formula
- C7H15N
- Molecular Mass
- 113.20 g/mol
Identifiers
CAS Registry Number
26389-60-6
SMILES
CCCNCC1CC1
InChI Key
MAVLRJDQJZJTQP-UHFFFAOYSA-N
InChI
InChI=1S/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3
Names and Synonyms
- (Cyclopropylmethyl)Propylamine Synonym
- Cyclopropanemethanamine, N-propyl- Synonym
- Cyclopropanemethylamine, N-propyl- Synonym
- N-Propylcyclopropanemethanamine Synonym
- (Cyclopropylmethyl)propylamine Synonym
- N-Cyclopropylmethyl-N-propylamine Synonym
- N-Propylcyclopropanemethylamine Synonym
- N-(Cyclopropylmethyl)propylamine Synonym
- N-Propyl-N-(cyclopropylmethyl)amine Synonym
- Propyl(cyclopropylmethyl)amine Synonym
- N-Propyl(cyclopropylmethyl)amine Synonym
- N-(Cyclopropylmethyl)propan-1-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.20 g/mol | CAS Common Chemistry |
| 113.204 g/mol | RDKit | |
| Canonical SMILES | N(CCC)CC1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H15N/c1-2-5-8-6-7-3-4-7/h7-8H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MAVLRJDQJZJTQP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Cyclopropylmethyl)propylamine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 1.396 | RDKit |
| Molar Refractivity | 35.884699999999995 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
9
8
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5
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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.
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MW = 113.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H15N.
