(cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine

• ChemBase编号: 127795
• 分子式: C23H29N
• 平均质量: 319.48306
• 单一同位素质量: 319.22999993
• SMILES: N(C(c1ccccc1)(CC)C/C=C/c1ccccc1)(C)CC1CC1
• Canonical SMILES: CCC(c1ccccc1)(N(CC1CC1)C)C/C=C/c1ccccc1
• InChI: InChI=1S/C23H29N/c1-3-23(22-14-8-5-9-15-22,24(2)19-21-16-17-21)18-10-13-20-11-6-4-7-12-20/h4-15,21H,3,16-19H2,1-2H3
• InChIKey: VCZSWYIFCKGTJI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine
• IUPAC传统名: (cyclopropylmethyl)(3,6-diphenylhex-5-en-3-yl)methylamine
• 别名: Igmesine

登记号

• CAS号: 140850-73-3
• PubChem SID: 162222113
• PubChem CID: 6438340
• Chemspider ID: 4942823
• 美国药典/FDA物质标识码: XA3745J38K
• 维基百科标题: Igmesine

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.6881654
• LogD (pH = 7.4): 3.0871072
• Log P: 6.181136
• 摩尔折射率: 105.0613 cm^3
• 极化性: 40.967697 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false