(1S,2S,10R,11S,14E,15S)-N-cyclohexyl-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-imine

• ChemBase编号: 210544
• 分子式: C25H41N
• 平均质量: 355.59974
• 单一同位素质量: 355.32390032
• SMILES: [C@@]12([C@H]([C@H]3[C@@H]([C@@]4(C(CC3)CCCC4)C)CC2)CC/C/1=N\C1CCCCC1)C
• Canonical SMILES: C[C@@]12CC[C@H]3[C@H]([C@@H]2CC/C/1=N\C1CCCCC1)CCC1[C@]3(C)CCCC1
• InChI: InChI=1S/C25H41N/c1-24-16-7-6-8-18(24)11-12-20-21-13-14-23(25(21,2)17-15-22(20)24)26-19-9-4-3-5-10-19/h18-22H,3-17H2,1-2H3/b26-23+/t18?,20-,21-,22-,24-,25-/m0/s1
• InChIKey: UBVDQPPYMIRBTH-FGFWXZNLSA-N

名称和登记号

名称

• IUPAC标准名: (1S,2S,10R,11S,14E,15S)-N-cyclohexyl-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-imine
• IUPAC传统名: (1S,2S,10R,11S,14E,15S)-N-cyclohexyl-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-imine

登记号

• PubChem SID: 164266454
• PubChem CID: 16403345

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.5072107
• LogD (pH = 7.4): 6.984376
• Log P: 7.189611
• 摩尔折射率: 110.1074 cm^3
• 极化性: 43.907562 Å^3
• 极化表面积: 12.36 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds