2-cyclopropyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 581562
• Molecular Formular: C24H31N3
• Molecular Mass: 361.52304
• Monoisotopic Mass: 361.25179801
• SMILES: N1(C2CC2)CC(CC2(C1)CCN(Cc1ncccc1)CC2)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1CN(CC2(C1)CCN(CC2)Cc1ccccn1)C1CC1
• InChI: InChI=1S/C24H31N3/c1-2-6-20(7-3-1)21-16-24(19-27(17-21)23-9-10-23)11-14-26(15-12-24)18-22-8-4-5-13-25-22/h1-8,13,21,23H,9-12,14-19H2
• InChIKey: RETBOSKWMCMACX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-cyclopropyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
• Synonyms: 2-cyclopropyl-4-phenyl-9-(2-pyridinylmethyl)-2,9-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• Log P: 3.579227
• Molar Refractivity: 111.236 cm^3
• Polarizability: 43.814793 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0541325
• LogD (pH = 7.4): 0.8246972

供应商提供(Chembridge)

• Log P: 3.46
• LOG S: -2.48
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0