N-cycloheptylpiperidin-4-amine

• ChemBase ID: 616326
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1CCC(NC2CCCCCC2)CC1
• Canonical SMILES: C1CCCC(CC1)NC1CCNCC1
• InChI: InChI=1S/C12H24N2/c1-2-4-6-11(5-3-1)14-12-7-9-13-10-8-12/h11-14H,1-10H2
• InChIKey: WVWVYEJJBYWAOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptylpiperidin-4-amine
• IUPAC Traditional name: N-cycloheptylpiperidin-4-amine
• Synonyms: N-cycloheptyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2678647
• LogD (pH = 7.4): -2.445311
• Log P: 1.694719
• Molar Refractivity: 60.465 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.68
• LOG S: -1.06
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2