(3S)-N,N-dimethylazepan-3-amine

• ChemBase ID: 309876
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1C[C@@H](N(C)C)CCCC1
• Canonical SMILES: CN([C@H]1CCCCNC1)C
• InChI: InChI=1S/C8H18N2/c1-10(2)8-5-3-4-6-9-7-8/h8-9H,3-7H2,1-2H3/t8-/m0/s1
• InChIKey: RRKCNYMLYVVFAP-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-N,N-dimethylazepan-3-amine
• IUPAC Traditional name: (3S)-N,N-dimethylazepan-3-amine
• Synonyms: (3S)-N,N-dimethyl-3-azepanamine

Database IDs

• MDL Number: MFCD18917086

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0491843
• LogD (pH = 7.4): -2.1165035
• Log P: 0.73589927
• Molar Refractivity: 44.5247 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2