N-methyl-2-(propylamino)acetamide

• ChemBase ID: 261743
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NC)CNCCC
• Canonical SMILES: CCCNCC(=O)NC
• InChI: InChI=1S/C6H14N2O/c1-3-4-8-5-6(9)7-2/h8H,3-5H2,1-2H3,(H,7,9)
• InChIKey: JGVUSZBDWHKJQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(propylamino)acetamide
• IUPAC Traditional name: N-methyl-2-(propylamino)acetamide
• Synonyms: N-methyl-2-(propylamino)acetamide

Database IDs

• MDL Number: MFCD11154481
• PubChem SID: 164317653
• PubChem CID: 28586328

CALCULATED PROPERTIES

• Acid pKa: 16.299208
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.4818997
• LogD (pH = 7.4): -2.0523632
• Log P: -0.41883135
• Molar Refractivity: 36.7695 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.206

Product Information

• Purity: 95%