N-(propan-2-yl)cycloheptanamine

• ChemBase ID: 311305
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N(C1CCCCCC1)C(C)C
• Canonical SMILES: CC(NC1CCCCCC1)C
• InChI: InChI=1S/C10H21N/c1-9(2)11-10-7-5-3-4-6-8-10/h9-11H,3-8H2,1-2H3
• InChIKey: BAMIITPCPOUFPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)cycloheptanamine
• IUPAC Traditional name: N-isopropylcycloheptanamine
• Synonyms: N-isopropylcycloheptanamine

Database IDs

• CAS Number: 52703-18-1
• MDL Number: MFCD08691749

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4148364
• LogD (pH = 7.4): -0.23547854
• Log P: 2.8243437
• Molar Refractivity: 49.476 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2