N-methyl-2-(methylamino)propanamide

• ChemBase ID: 34498
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(C(NC)C)NC
• Canonical SMILES: CNC(=O)C(NC)C
• InChI: InChI=1S/C5H12N2O/c1-4(6-2)5(8)7-3/h4,6H,1-3H3,(H,7,8)
• InChIKey: GFQCCPONSFHKMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)propanamide
• IUPAC Traditional name: N-methyl-2-(methylamino)propanamide
• Synonyms: N-Methyl-2-(methylamino)propanamide; N~1~,N~2~-dimethylalaninamide

Database IDs

• CAS Number: 63095-84-1
• MDL Number: MFCD11057910
• PubChem SID: 160997805
• PubChem CID: 14953798

CALCULATED PROPERTIES

• Acid pKa: 16.192389
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7441623
• LogD (pH = 7.4): -2.2392118
• Log P: -0.7293975
• Molar Refractivity: 31.9908 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false