N-(3-aminopropyl)-N-methylacetamide

• ChemBase ID: 273663
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(N(CCCN)C)C
• Canonical SMILES: CN(C(=O)C)CCCN
• InChI: InChI=1S/C6H14N2O/c1-6(9)8(2)5-3-4-7/h3-5,7H2,1-2H3
• InChIKey: PEMHCPZCFJGAEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)-N-methylacetamide
• IUPAC Traditional name: N-(3-aminopropyl)-N-methylacetamide
• Synonyms: N-(3-aminopropyl)-N-methylacetamide

Database IDs

• MDL Number: MFCD11129667
• PubChem SID: 164329573
• PubChem CID: 13641167

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3284807
• LogD (pH = 7.4): -3.60418
• Log P: -1.3199602
• Molar Refractivity: 37.0745 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.685

Product Information

• Purity: 95%