1-[(1r,5r)-1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one

• ChemBase编号: 196493
• 分子式: C15H26N2O2
• 平均质量: 266.37914
• 单一同位素质量: 266.19942808
• SMILES: N1(C(=O)CC)C[C@@]2(CN(C(=O)CC)C[C@](C1)(C2)C)C
• Canonical SMILES: CCC(=O)N1C[C@]2(C)CN(C[C@](C1)(C2)C)C(=O)CC
• InChI: InChI=1S/C15H26N2O2/c1-5-12(18)16-8-14(3)7-15(4,9-16)11-17(10-14)13(19)6-2/h5-11H2,1-4H3/t14-,15+
• InChIKey: DQCRHTDYSUGGMD-GASCZTMLSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(1r,5r)-1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one
• IUPAC传统名: 1-[(1R,5S)-1,5-dimethyl-7-propanoyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one

登记号

• PubChem SID: 164252403
• PubChem CID: 653818

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.0470897
• LogD (pH = 7.4): 1.0471241
• Log P: 1.0471246
• 摩尔折射率: 74.6806 cm^3
• 极化性: 29.320707 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds