N-propylcycloheptanamine

• ChemBase ID: 307902
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N(C1CCCCCC1)CCC
• Canonical SMILES: CCCNC1CCCCCC1
• InChI: InChI=1S/C10H21N/c1-2-9-11-10-7-5-3-4-6-8-10/h10-11H,2-9H2,1H3
• InChIKey: QHZWWLYWZPCJMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylcycloheptanamine
• IUPAC Traditional name: N-propylcycloheptanamine
• Synonyms: N-propylcycloheptanamine

Database IDs

• CAS Number: 39191-13-4
• MDL Number: MFCD08691722

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.30925998
• LogD (pH = 7.4): -0.14945927
• Log P: 2.9302912
• Molar Refractivity: 49.5812 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2