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Molecule
N,N-Diethylmethylamine
CAS: 616-39-7 · C5H13N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 616-39-7
- Molecular Formula
- C5H13N
- Molecular Mass
- 87.17 g/mol
Identifiers
CAS Registry Number
616-39-7
SMILES
CCN(C)CC
InChI Key
GNVRJGIVDSQCOP-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3
Names and Synonyms
- N,N-Diethylmethylamine Synonym
- N-Methyl-N-ethylethanamine Synonym
- Ethanamine, N-ethyl-N-methyl- Synonym
- Diethylamine, N-methyl- Synonym
- N-Ethyl-N-methylethanamine Synonym
- Diethylmethylamine Synonym
- N-Methyldiethylamine Synonym
- N,N-Diethylmethylamine Synonym
- N,N-Diethyl-N-methylamine Synonym
- Methyldiethylamine Synonym
- Diethylmonomethylamine 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 | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N,N-diethylmethylamine | CAS Common Chemistry |
| Boiling Point | 66 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GNVRJGIVDSQCOP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -196 °C | CAS Common Chemistry |
| Name | Diethylmethylamine | CAS Common Chemistry |
| N,N-diethylmethylamine | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 0.958 | RDKit |
| Molar Refractivity | 28.844999999999985 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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13N.
