7-(cyclobutylmethyl)-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 737825
• Molecular Formular: C18H32N2
• Molecular Mass: 276.46008
• Monoisotopic Mass: 276.25654903
• SMILES: N1(CC2(CN(CC3CCC3)CCC2)CC1)C/C(=C/C)/C
• Canonical SMILES: C/C=C(/CN1CCC2(C1)CCCN(C2)CC1CCC1)\C
• InChI: InChI=1S/C18H32N2/c1-3-16(2)12-20-11-9-18(15-20)8-5-10-19(14-18)13-17-6-4-7-17/h3,17H,4-15H2,1-2H3/b16-3+
• InChIKey: QDKXJLLXUFWRGY-HQYXKAPLSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -2.01
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 0
• Log P: 3.9

JChem

• Molar Refractivity: 88.4309 cm^3
• Polarizability: 34.562195 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.6002288
• LogD (pH = 7.4): -0.34759519
• Log P: 3.3243437