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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
Names and Synonyms:
N,2,2-Trimethylpropanamide
Propanamide, N,2,2-trimethyl-
Propionamide, N,2,2-trimethyl-
N,2,2-Trimethylpropanamide
N-Methylpivalamide
N-Methyl-tert-butylacetamide
N-Methylpivaloylamide
N-Methyl-α,α,α-trimethylacetamide
NSC 223053
2,2,N-Trimethyl-propionamide
Identifiers:
SMILES:
CN=C(O)C(C)(C)C
InChI:
InChI=1S/C6H13NO/c1-6(2,3)5(8)7-4/h1-4H3,(H,7,8)
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.18 g/mol | CAS Common Chemistry |
| 115.17599999999999 g/mol | RDKit | |
| 115.099714036 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 |
| Molar Refractivity | 35.4428 | RDKit |
