2-(cyclopentylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 836023
• 分子式: C17H30N2O2
• 平均质量: 294.4323
• 单一同位素质量: 294.23072821
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CC2CCCC2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)CC1CCCC1
• InChI: InChI=1S/C17H30N2O2/c1-21-12-11-19-9-4-7-17(16(19)20)8-10-18(14-17)13-15-5-2-3-6-15/h15H,2-14H2,1H3
• InChIKey: HWICEVMJPPEJCH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.7305785
• LogD (pH = 7.4): -1.4134978
• Log P: 1.7648176
• 摩尔折射率: 84.7885 cm^3
• 极化性: 33.28011 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.52
• LOG S: -1.27
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 4