N-methyl-3-(methylamino)butanamide

• ChemBase ID: 308810
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(CC(NC)C)NC
• Canonical SMILES: CNC(CC(=O)NC)C
• InChI: InChI=1S/C6H14N2O/c1-5(7-2)4-6(9)8-3/h5,7H,4H2,1-3H3,(H,8,9)
• InChIKey: ZPVCSLQZDVRAPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(methylamino)butanamide
• IUPAC Traditional name: N-methyl-3-(methylamino)butanamide
• Synonyms: N-methyl-3-(methylamino)butanamide

Database IDs

• CAS Number: 857779-89-6
• MDL Number: MFCD12198487

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8429904
• LogD (pH = 7.4): -2.9157898
• Log P: -0.6445739
• Molar Refractivity: 36.6151 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 41.13 Å^2