3-({2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)pyridin-2-amine

• ChemBase ID: 779870
• Molecular Formular: C23H32N4
• Molecular Mass: 364.52698
• Monoisotopic Mass: 364.26269704
• SMILES: c1(c(nccc1)N)CN1CCC2(CC(CN(C2)CC)c2ccccc2)CC1
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)Cc1cccnc1N)c1ccccc1
• InChI: InChI=1S/C23H32N4/c1-2-26-17-21(19-7-4-3-5-8-19)15-23(18-26)10-13-27(14-11-23)16-20-9-6-12-25-22(20)24/h3-9,12,21H,2,10-11,13-18H2,1H3,(H2,24,25)
• InChIKey: GBPHLNUOPWUZRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)pyridin-2-amine
• IUPAC Traditional name: 3-({2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)pyridin-2-amine
• Synonyms: 3-[(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)methyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9869933
• LogD (pH = 7.4): -0.18393338
• Log P: 3.15453
• Molar Refractivity: 114.3095 cm^3
• Polarizability: 43.826653 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.52
• LOG S: -3.86
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 4