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N,2-Dimethyl-2-Propanamine
CAS: 14610-37-8 | C5H13N
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
14610-37-8
Molecular Formula:
C5H13N
Molecular Weight:
87.166 g/mol
Names and Synonyms:
N,2-Dimethyl-2-Propanamine
Synonym
2-Propanamine, N,2-dimethyl-
Synonym
Ethylamine, N,1,1-trimethyl-
Synonym
N,2-Dimethyl-2-propanamine
Synonym
N-Methyl-tert-butylamine
Synonym
tert-Butylmethylamine
Synonym
Methyl-tert-butylamine
Synonym
N-tert-Butylmethylamine
Synonym
N,1,1-Trimethylethylamine
Synonym
N-tert-Butyl-N-methylamine
Synonym
NSC 225080
Synonym
N-Methyl-N-tert-butylamine
Synonym
N-Methyl-2-(methyl)propan-2-amine
Synonym
Identifiers:
SMILES:
CNC(C)(C)C
InChI:
InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.03 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0043 | RDKit |
| molecular_mass | 87.17 g/mol | Legacy Database |
| density | 0.73 g/cm³ | Legacy Database |
| cas-boiling-point | 58-60 °C None | Legacy Database |
| cas-canonical-smile | N(C)C(C)(C)C None | Legacy Database |
| cas-density | 0.727 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ZQGJEUVBUVKZKS-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N,2-Dimethyl-2-propanamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 28.812699999999985 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 87.166 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.10479941599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |