2-cyclobutyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 864869
• Molecular Formular: C20H30N2
• Molecular Mass: 298.4656
• Monoisotopic Mass: 298.24089897
• SMILES: N1(CC2(CN(Cc3cc(ccc3)C)CCC2)CC1)C1CCC1
• Canonical SMILES: Cc1cccc(c1)CN1CCCC2(C1)CCN(C2)C1CCC1
• InChI: InChI=1S/C20H30N2/c1-17-5-2-6-18(13-17)14-21-11-4-9-20(15-21)10-12-22(16-20)19-7-3-8-19/h2,5-6,13,19H,3-4,7-12,14-16H2,1H3
• InChIKey: YDMRXODNKWLGSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclobutyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-cyclobutyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-cyclobutyl-7-(3-methylbenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.7886745
• LogD (pH = 7.4): 0.6139849
• Log P: 3.8859794
• Molar Refractivity: 94.2357 cm^3
• Polarizability: 36.962093 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.21
• LOG S: -2.81
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 3