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

• ChemBase ID: 841105
• Molecular Formular: C18H26N2
• Molecular Mass: 270.41244
• Monoisotopic Mass: 270.20959884
• SMILES: N1(CC2(CC1)CNCCC2)C/C(=C/c1ccccc1)/C
• Canonical SMILES: C/C(=C\c1ccccc1)/CN1CCC2(C1)CCCNC2
• InChI: InChI=1S/C18H26N2/c1-16(12-17-6-3-2-4-7-17)13-20-11-9-18(15-20)8-5-10-19-14-18/h2-4,6-7,12,19H,5,8-11,13-15H2,1H3/b16-12+
• InChIKey: DMGPXZCXKVKODZ-FOWTUZBSSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.677564
• LogD (pH = 7.4): -0.4809959
• Log P: 2.932654
• Molar Refractivity: 86.6882 cm^3
• Polarizability: 33.939835 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.55
• LOG S: -3.2
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3