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Molecule
3-Aminopentane
CAS: 616-24-0 · C5H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 616-24-0
- Molecular Formula
- C5H13N
- Molecular Mass
- 87.17 g/mol
Identifiers
CAS Registry Number
616-24-0
SMILES
CCC(N)CC
InChI Key
PQPFFKCJENSZKL-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
Names and Synonyms
- 3-Aminopentane Synonym
- 3-Pentanamine Synonym
- Propylamine, 1-ethyl- Synonym
- 3-Aminopentane Synonym
- 1-Ethylpropylamine Synonym
- 3-Pentylamine Synonym
- NSC 165575 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 87.17 g/mol | CAS Common Chemistry |
| 87.166 g/mol | RDKit | |
| Density | 0.75 g/cm³ | CAS Common Chemistry |
| 0.7479 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Aminopentane | CAS Common Chemistry |
| Boiling Point | 89 °C | CAS Common Chemistry |
| Canonical SMILES | NC(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PQPFFKCJENSZKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Pentanamine | CAS Common Chemistry |
| 3-Aminopentane | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.1337 | RDKit |
| Molar Refractivity | 28.55739999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 87.10479941599999 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 = 87.17 g/mol; density = 0.750 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13N.
