2-amino-N,2-dimethylpropanamide

• ChemBase ID: 308707
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(C(N)(C)C)NC
• Canonical SMILES: CNC(=O)C(N)(C)C
• InChI: InChI=1S/C5H12N2O/c1-5(2,6)4(8)7-3/h6H2,1-3H3,(H,7,8)
• InChIKey: HEZDWTXSXRFPEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,2-dimethylpropanamide
• IUPAC Traditional name: 2-amino-N,2-dimethylpropanamide
• Synonyms: N~1~,2-dimethylalaninamide

Database IDs

• CAS Number: 106914-07-2
• MDL Number: MFCD12827482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5130491
• LogD (pH = 7.4): -1.989282
• Log P: -0.729212
• Molar Refractivity: 31.9295 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2