N,N-dimethylazepan-4-amine

• ChemBase ID: 309225
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1CCC(N(C)C)CCC1
• Canonical SMILES: CN(C1CCNCCC1)C
• InChI: InChI=1S/C8H18N2/c1-10(2)8-4-3-6-9-7-5-8/h8-9H,3-7H2,1-2H3
• InChIKey: CPQNSCBDTYTUGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylazepan-4-amine
• IUPAC Traditional name: N,N-dimethylazepan-4-amine
• Synonyms: N,N-dimethyl-4-azepanamine

Database IDs

• MDL Number: MFCD18917058

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.743712
• LogD (pH = 7.4): -3.707304
• Log P: 0.35129032
• Molar Refractivity: 44.7891 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2