Back to Search
Molecule
N,2,2-Trimethylpropanamide
CAS: 6830-83-7 · C6H13NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6830-83-7
- Molecular Formula
- C6H13NO
- Molecular Mass
- 115.18 g/mol
Identifiers
CAS Registry Number
6830-83-7
SMILES
CN=C(O)C(C)(C)C
InChI Key
QMKKJBRRKIKWFK-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c1-6(2,3)5(8)7-4/h1-4H3,(H,7,8)
Names and Synonyms
- N,2,2-Trimethylpropanamide Systematic Name
- Propanamide, N,2,2-trimethyl- Synonym
- Propionamide, N,2,2-trimethyl- Synonym
- N,2,2-Trimethylpropanamide Synonym
- N-Methylpivalamide Synonym
- N-Methyl-tert-butylacetamide Synonym
- N-Methylpivaloylamide Synonym
- N-Methyl-α,α,α-trimethylacetamide Synonym
- NSC 223053 Synonym
- 2,2,N-Trimethyl-propionamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.17599999999999 g/mol | RDKit | |
| 115.176 g/mol | RDKit | |
| Canonical SMILES | O=C(NC)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO/c1-6(2,3)5(8)7-4/h1-4H3,(H,7,8) | CAS Common Chemistry |
| InChI Key | InChIKey=QMKKJBRRKIKWFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N,2,2-Trimethylpropanamide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.6188 | RDKit |
| 1.64 | chempirical lib | |
| Molar Refractivity | 35.4428 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 115.099714036 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
Convert
Quick conversion
MW = 115.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H13NO.
