1-methylazepan-3-amine

• ChemBase ID: 309082
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1(CC(N)CCCC1)C
• Canonical SMILES: NC1CCCCN(C1)C
• InChI: InChI=1S/C7H16N2/c1-9-5-3-2-4-7(8)6-9/h7H,2-6,8H2,1H3
• InChIKey: SAQGERPDKPUNKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylazepan-3-amine
• IUPAC Traditional name: 1-methylazepan-3-amine
• Synonyms: 1-methyl-3-azepanamine

Database IDs

• CAS Number: 188192-55-4
• MDL Number: MFCD09263803

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.7497845
• LogD (pH = 7.4): -2.4812052
• Log P: 0.30331886
• Molar Refractivity: 39.7501 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 29.26 Å^2