(cyclopentylmethyl)({[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl})(2-methoxyethyl)amine

• ChemBase ID: 400667
• Molecular Formular: C24H38N2O
• Molecular Mass: 370.57132
• Monoisotopic Mass: 370.29841385
• SMILES: N1(C2Cc3c(C2)cccc3)CC(CN(CC2CCCC2)CCOC)CCC1
• Canonical SMILES: COCCN(CC1CCCC1)CC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H38N2O/c1-27-14-13-25(17-20-7-2-3-8-20)18-21-9-6-12-26(19-21)24-15-22-10-4-5-11-23(22)16-24/h4-5,10-11,20-21,24H,2-3,6-9,12-19H2,1H3
• InChIKey: ANGIQLVZFRWOEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopentylmethyl)({[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl})(2-methoxyethyl)amine
• IUPAC Traditional name: (cyclopentylmethyl)({[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl})(2-methoxyethyl)amine
• Synonyms: (cyclopentylmethyl){[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}(2-methoxyethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.74689
• LogD (pH = 7.4): 0.43821737
• Log P: 4.454662
• Molar Refractivity: 114.6933 cm^3
• Polarizability: 44.921963 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.71
• LOG S: -3.45
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7