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

• ChemBase ID: 122833
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(N(C)C)CCNC
• Canonical SMILES: CNCCC(=O)N(C)C
• InChI: InChI=1S/C6H14N2O/c1-7-5-4-6(9)8(2)3/h7H,4-5H2,1-3H3
• InChIKey: QOGPLHKHBMJCQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-(methylamino)propanamide
• IUPAC Traditional name: N,N-dimethyl-3-(methylamino)propanamide
• Synonyms: N~1~,N~1~,N~3~-trimethyl-beta-alaninamide; N,N-dimethyl-3-(methylamino)propanamide

Database IDs

• CAS Number: 17268-50-7
• MDL Number: MFCD09996862
• PubChem SID: 162217186
• PubChem CID: 19957299

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0266147
• LogD (pH = 7.4): -3.0292823
• Log P: -0.8374729
• Molar Refractivity: 37.093 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true