N-methylazepan-4-amine

• ChemBase ID: 243180
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1CCC(NC)CCC1
• Canonical SMILES: CNC1CCNCCC1
• InChI: InChI=1S/C7H16N2/c1-8-7-3-2-5-9-6-4-7/h7-9H,2-6H2,1H3
• InChIKey: VXWXWODKHSGZQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylazepan-4-amine
• IUPAC Traditional name: N-methylazepan-4-amine
• Synonyms: N-methylazepan-4-amine

Database IDs

• MDL Number: MFCD19598193
• PubChem SID: 164299090
• PubChem CID: 63903475

CALCULATED PROPERTIES

• Log P: -0.03175761
• Molar Refractivity: 39.4944 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.1950483
• LogD (pH = 7.4): -4.4180083

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.347

Product Information

• Purity: 95%