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Molecule
(+)-2-Amino-3,3-Dimethylbutane
CAS: 22526-47-2 · C6H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 22526-47-2
- Molecular Formula
- C6H15N
- Molecular Mass
- 101.19 g/mol
Identifiers
CAS Registry Number
22526-47-2
SMILES
C[C@H](N)C(C)(C)C
InChI Key
DXSUORGKJZADET-YFKPBYRVSA-N
InChI
InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
Names and Synonyms
- (+)-2-Amino-3,3-Dimethylbutane Systematic Name
- 2-Butanamine, 3,3-dimethyl-, (2S)- Synonym
- Propylamine, 1,2,2-trimethyl-, (S)- Synonym
- 2-Butanamine, 3,3-dimethyl-, (S)- Synonym
- (2S)-3,3-Dimethyl-2-butanamine Synonym
- (S)-(+)-3,3-Dimethyl-2-butanamine Synonym
- (+)-2-Amino-3,3-dimethylbutane Synonym
- (S)-1,2,2-Trimethylpropanamine Synonym
- (+)-3,3-Dimethyl-2-butanamine Synonym
- (S)-3,3-Dimethyl-2-butanamine Synonym
- (S)-1-(tert-Butyl)ethylamine Synonym
- (S)-3,3-Dimethyl-2-butylamine Synonym
- (2S)-3,3-dimethyl-2-butanamine Synonym
- [(S)-1,2,2-Trimethylpropyl]amine Synonym
- ((1S)-1,2,2-Trimethylpropyl)amine Synonym
- (1S)-1,2,2-Trimethylpropylamine Synonym
- (S)-(+)-3,3-Dimethylbutan-2-ylamine Synonym
- (S)-(+)-3,3-Dimethyl-2-butylamine Synonym
- (2S)-3,3-Dimethylbutan-2-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 101.19 g/mol | CAS Common Chemistry |
| 101.19299999999998 g/mol | RDKit | |
| 101.193 g/mol | RDKit | |
| Canonical SMILES | NC(C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DXSUORGKJZADET-YFKPBYRVSA-N | CAS Common Chemistry |
| Name | (+)-2-Amino-3,3-dimethylbutane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 1.3797000000000001 | RDKit |
| 1.3797 | RDKit | |
| Molar Refractivity | 33.10439999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 101.12044947999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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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.
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MW = 101.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15N.
