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2-Amino-3,3-Dimethylbutane
CAS: 3850-30-4 | C6H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3850-30-4
Molecular Formula:
C6H15N
Molecular Weight:
101.19299999999998 g/mol
Names and Synonyms:
2-Amino-3,3-Dimethylbutane
2-Butanamine, 3,3-dimethyl-
Propylamine, 1,2,2-trimethyl-
3,3-Dimethyl-2-butanamine
3,3-Dimethyl-2-aminobutane
2-Amino-3,3-dimethylbutane
3,3-Dimethylbut-2-ylamine
3-Amino-2,2-dimethylbutane
1,2,2-Trimethylpropylamine
1,2,2-Trimethylpropanamine
dl-3,3-Dimethyl-2-aminobutane
(±)-2-Amino-3,3-dimethylbutane
(±)-3,3-Dimethyl-2-butanamine
1-tert-Butylethylamine
Identifiers:
SMILES:
CC(N)C(C)(C)C
InChI:
InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 101.19 g/mol | Legacy Database |
| cas-boiling-point | 102 °C None | Legacy Database |
| cas-canonical-smile | NC(C)C(C)(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DXSUORGKJZADET-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -20 °C None | Legacy Database |
| cas-name | 2-Amino-3,3-dimethylbutane None | Legacy Database |
| LogP | 1.3797000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 101.19299999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 101.12044947999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 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 |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.10439999999999 | RDKit |
