N-(butan-2-yl)cycloheptanamine

• ChemBase ID: 311314
• Molecular Formular: C11H23N
• Molecular Mass: 169.30702
• Monoisotopic Mass: 169.18304974
• SMILES: N(C1CCCCCC1)C(CC)C
• Canonical SMILES: CCC(NC1CCCCCC1)C
• InChI: InChI=1S/C11H23N/c1-3-10(2)12-11-8-6-4-5-7-9-11/h10-12H,3-9H2,1-2H3
• InChIKey: AHIBWCFSQAGTCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)cycloheptanamine
• IUPAC Traditional name: N-(sec-butyl)cycloheptanamine
• Synonyms: N-(sec-butyl)cycloheptanamine

Database IDs

• MDL Number: MFCD08691752

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.10686749
• LogD (pH = 7.4): 0.24181071
• Log P: 3.3468661
• Molar Refractivity: 54.0 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 12.03 Å^2