N-methyl-3-(propylamino)propanamide

• ChemBase ID: 24475
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(CCNCCC)NC
• Canonical SMILES: CCCNCCC(=O)NC
• InChI: InChI=1S/C7H16N2O/c1-3-5-9-6-4-7(10)8-2/h9H,3-6H2,1-2H3,(H,8,10)
• InChIKey: RRELTSVUBDBKNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(propylamino)propanamide
• IUPAC Traditional name: N-methyl-3-(propylamino)propanamide
• Synonyms: N-Methyl-3-(propylamino)propanamide

Database IDs

• MDL Number: MFCD10687359
• PubChem SID: 160987782
• PubChem CID: 28307175

CALCULATED PROPERTIES

• Acid pKa: 16.571608
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3921072
• LogD (pH = 7.4): -2.5786905
• Log P: -0.18181862
• Molar Refractivity: 41.4689 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false