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

• ChemBase ID: 34509
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(N(C)C)C(NC)C
• Canonical SMILES: CNC(C(=O)N(C)C)C
• InChI: InChI=1S/C6H14N2O/c1-5(7-2)6(9)8(3)4/h5,7H,1-4H3
• InChIKey: RIUXWVNHMYQLQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(methylamino)propanamide
• IUPAC Traditional name: N,N-dimethyl-2-(methylamino)propanamide
• Synonyms: N,N-Dimethyl-2-(methylamino)propanamide; N~1~,N~1~,N~2~-trimethylalaninamide

Database IDs

• CAS Number: 69902-16-5
• MDL Number: MFCD09880870
• PubChem SID: 160997816
• PubChem CID: 23033735

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5245214
• LogD (pH = 7.4): -2.0250309
• Log P: -0.5057214
• Molar Refractivity: 36.8875 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false