N-cycloheptylcycloheptanamine

• ChemBase ID: 108564
• Molecular Formular: C14H27N
• Molecular Mass: 209.37088
• Monoisotopic Mass: 209.21434987
• SMILES: C1CCCC(CC1)NC1CCCCCC1
• Canonical SMILES: C1CCCCC(C1)NC1CCCCCC1
• InChI: InChI=1S/C14H27N/c1-2-6-10-13(9-5-1)15-14-11-7-3-4-8-12-14/h13-15H,1-12H2
• InChIKey: LYFALQJXGVLXBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptylcycloheptanamine
• IUPAC Traditional name: N-cycloheptylcycloheptanamine
• Synonyms: DICYCLOHEPTYLAMINE

Database IDs

• PubChem SID: 162106235
• PubChem CID: 7015147

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0540576
• LogD (pH = 7.4): 1.1441894
• Log P: 4.2948
• Molar Refractivity: 65.9238 cm^3
• Polarizability: 26.631351 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207882

MP Biomedicals Rare Chemical collection