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Molecule
N-Ethyl-2-Propanamine
CAS: 19961-27-4 · C5H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19961-27-4
- Molecular Formula
- C5H13N
- Molecular Mass
- 87.17 g/mol
Identifiers
CAS Registry Number
19961-27-4
SMILES
CCNC(C)C
InChI Key
RIVIDPPYRINTTH-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3
Names and Synonyms
- N-Ethyl-2-Propanamine Common Name
- 2-Propanamine, N-ethyl- Synonym
- Diethylamine, 1-methyl- Synonym
- N-Ethyl-2-propanamine Synonym
- N-Ethylisopropylamine Synonym
- Ethylisopropylamine Synonym
- Isopropylethylamine Synonym
- 2-(Ethylamino)propane Synonym
- N-Ethyl-N-isopropylamine Synonym
- NSC 165659 Synonym
- (Ethyl)(1-methylethyl)amine 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 | 0.71 g/cm³ | CAS Common Chemistry |
| 0.71 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 69.6 °C | CAS Common Chemistry |
| Canonical SMILES | N(CC)C(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RIVIDPPYRINTTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-2-propanamine | 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 | 12.03 Ų | RDKit |
| LogP | 1.0043 | RDKit |
| Molar Refractivity | 28.812699999999985 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
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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 |
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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 = 87.17 g/mol; density = 0.710 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13N.
