tert-butyl N-{2-azaspiro[4.5]decan-8-yl}carbamate

• ChemBase编号: 310203
• 分子式: C14H26N2O2
• 平均质量: 254.36844
• 单一同位素质量: 254.19942808
• SMILES: C(=O)(NC1CCC2(CC1)CNCC2)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CCC2(CC1)CNCC2
• InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-11-4-6-14(7-5-11)8-9-15-10-14/h11,15H,4-10H2,1-3H3,(H,16,17)
• InChIKey: PGYQPWDBUCVPDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl N-{2-azaspiro[4.5]decan-8-yl}carbamate
• IUPAC传统名: tert-butyl N-{2-azaspiro[4.5]decan-8-yl}carbamate
• 别名: tert-butyl 2-azaspiro[4.5]dec-8-ylcarbamate

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): -1.4164482
• LogD (pH = 7.4): -1.3311538
• Log P: 1.8243698
• 摩尔折射率: 71.3049 cm^3
• 极化性: 28.48516 Å^3
• 极化表面积: 50.36 Å^2