7-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-2-methyl-2,7-diazaspiro[4.5]decane

• ChemBase ID: 704689
• Molecular Formular: C19H28N2O
• Molecular Mass: 300.43842
• Monoisotopic Mass: 300.22016353
• SMILES: C12(CN(CC1)C)CN(C/C=C/c1ccc(cc1)OC)CCC2
• Canonical SMILES: COc1ccc(cc1)/C=C/CN1CCCC2(C1)CCN(C2)C
• InChI: InChI=1S/C19H28N2O/c1-20-14-11-19(15-20)10-4-13-21(16-19)12-3-5-17-6-8-18(22-2)9-7-17/h3,5-9H,4,10-16H2,1-2H3/b5-3+
• InChIKey: DQUIASMJFKPDSY-HWKANZROSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-2-methyl-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-2-methyl-2,7-diazaspiro[4.5]decane
• Synonyms: 7-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-2-methyl-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.2601676
• LogD (pH = 7.4): 0.3466596
• Log P: 2.9146693
• Molar Refractivity: 94.1641 cm^3
• Polarizability: 36.414783 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.17
• LOG S: -3.09
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4