N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanamine

• ChemBase ID: 399678
• Molecular Formular: C20H36N2O
• Molecular Mass: 320.51264
• Monoisotopic Mass: 320.28276378
• SMILES: N1(CCC(CN(CC2OCCC2)C2CCC2)CC1)C1CCCC1
• Canonical SMILES: C1COC(C1)CN(C1CCC1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C20H36N2O/c1-2-6-18(5-1)21-12-10-17(11-13-21)15-22(19-7-3-8-19)16-20-9-4-14-23-20/h17-20H,1-16H2
• InChIKey: SSIXSTSZBZZJBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanamine
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(oxolan-2-ylmethyl)cyclobutanamine
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-N-(tetrahydro-2-furanylmethyl)cyclobutanamine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0
• Log P: 3.76
• LOG S: -2.23
• Polar Surface Area: 15.71 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.514637
• LogD (pH = 7.4): -1.6896192
• Log P: 3.3610005
• Molar Refractivity: 96.7373 cm^3
• Polarizability: 38.411827 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6