N-(pentan-3-yl)cycloheptanamine

• ChemBase ID: 311308
• Molecular Formular: C12H25N
• Molecular Mass: 183.3336
• Monoisotopic Mass: 183.19869981
• SMILES: N(C1CCCCCC1)C(CC)CC
• Canonical SMILES: CCC(NC1CCCCCC1)CC
• InChI: InChI=1S/C12H25N/c1-3-11(4-2)13-12-9-7-5-6-8-10-12/h11-13H,3-10H2,1-2H3
• InChIKey: GBRBSIOOKRVTQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pentan-3-yl)cycloheptanamine
• IUPAC Traditional name: N-(pentan-3-yl)cycloheptanamine
• Synonyms: N-(1-ethylpropyl)cycloheptanamine

Database IDs

• MDL Number: MFCD08691751

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.62879103
• LogD (pH = 7.4): 0.72803086
• Log P: 3.8693886
• Molar Refractivity: 58.524 cm^3
• Polarizability: 23.680191 Å^3
• Polar Surface Area: 12.03 Å^2