[2-(azepan-1-yl)ethyl](methyl)amine

• ChemBase ID: 307022
• Molecular Formular: C9H20N2
• Molecular Mass: 156.2685
• Monoisotopic Mass: 156.16264865
• SMILES: N1(CCNC)CCCCCC1
• Canonical SMILES: CNCCN1CCCCCC1
• InChI: InChI=1S/C9H20N2/c1-10-6-9-11-7-4-2-3-5-8-11/h10H,2-9H2,1H3
• InChIKey: PCSDSPLJOYHMEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(azepan-1-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(azepan-1-yl)ethyl](methyl)amine
• Synonyms: (2-azepan-1-ylethyl)methylamine

Database IDs

• CAS Number: 118808-13-2
• MDL Number: MFCD09034970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7679741
• LogD (pH = 7.4): -1.4981483
• Log P: 1.1207008
• Molar Refractivity: 49.4555 cm^3
• Polarizability: 19.657892 Å^3
• Polar Surface Area: 15.27 Å^2