N-(3-aminopropyl)-N-methylcyclobutanecarboxamide

• ChemBase ID: 271957
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C(=O)(N(CCCN)C)C1CCC1
• Canonical SMILES: NCCCN(C(=O)C1CCC1)C
• InChI: InChI=1S/C9H18N2O/c1-11(7-3-6-10)9(12)8-4-2-5-8/h8H,2-7,10H2,1H3
• InChIKey: GBRIYBSKTHYJJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11129647
• PubChem SID: 164327867
• PubChem CID: 28386837

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1041167
• LogD (pH = 7.4): -2.379815
• Log P: -0.09559538
• Molar Refractivity: 49.0747 cm^3
• Polarizability: 19.311396 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.228

Product Information

• Purity: 95%