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Molecule
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 Mass
- 87.17 g/mol
Identifiers
CAS Registry Number
14610-37-8
SMILES
CNC(C)(C)C
InChI Key
ZQGJEUVBUVKZKS-UHFFFAOYSA-N
InChI
InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3
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
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 | 0.73 g/cm³ | CAS Common Chemistry |
| 0.727 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 58-60 °C | CAS Common Chemistry |
| Canonical SMILES | N(C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZQGJEUVBUVKZKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,2-Dimethyl-2-propanamine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | 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...
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200 ppm
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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 = 0.730 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H13N.
