N,2-dimethyl-3-(methylamino)propanamide

• ChemBase ID: 286146
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(C(CNC)C)NC
• Canonical SMILES: CNCC(C(=O)NC)C
• InChI: InChI=1S/C6H14N2O/c1-5(4-7-2)6(9)8-3/h5,7H,4H2,1-3H3,(H,8,9)
• InChIKey: CCQIEJCCHLDGMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-3-(methylamino)propanamide
• IUPAC Traditional name: N,2-dimethyl-3-(methylamino)propanamide
• Synonyms: N,2-dimethyl-3-(methylamino)propanamide

Database IDs

• MDL Number: MFCD21602719
• PubChem SID: 180671677
• PubChem CID: 20578861

CALCULATED PROPERTIES

• Acid pKa: 16.477745
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7221637
• LogD (pH = 7.4): -2.8443768
• Log P: -0.51816267
• Molar Refractivity: 36.7708 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.717

Product Information

• Purity: 95%