N-[(1-cyclopentylpiperidin-4-yl)methyl]cycloheptanamine

• ChemBase ID: 509372
• Molecular Formular: C18H34N2
• Molecular Mass: 278.47596
• Monoisotopic Mass: 278.2721991
• SMILES: N1(CCC(CNC2CCCCCC2)CC1)C1CCCC1
• Canonical SMILES: C1CCCC(CC1)NCC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C18H34N2/c1-2-4-8-17(7-3-1)19-15-16-11-13-20(14-12-16)18-9-5-6-10-18/h16-19H,1-15H2
• InChIKey: CCSADCVVYVBUMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]cycloheptanamine
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]cycloheptanamine
• Synonyms: N-[(1-cyclopentylpiperidin-4-yl)methyl]cycloheptanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8291833
• LogD (pH = 7.4): -2.072595
• Log P: 3.8930695
• Molar Refractivity: 86.9909 cm^3
• Polarizability: 34.795853 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.96
• LOG S: -3.61
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 4