7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 524207
• 分子式: C19H32N2O
• 平均质量: 304.47018
• 单一同位素质量: 304.25146365
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(CC2CC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)CC1CC1)CC1CCCCC1
• InChI: InChI=1S/C19H32N2O/c22-18-19(10-12-20(15-19)13-17-7-8-17)9-4-11-21(18)14-16-5-2-1-3-6-16/h16-17H,1-15H2
• InChIKey: COKBGLKSOFRLMF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 7-(cyclohexylmethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.44770858
• LogD (pH = 7.4): 0.15041956
• Log P: 3.0369391
• 摩尔折射率: 90.288 cm^3
• 极化性: 35.54696 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 3.86
• LOG S: -2.85
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 4