(E)-[(4-methoxyphenyl)methylidene]({2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine

• ChemBase编号: 202593
• 分子式: C23H37NO2
• 平均质量: 359.54538
• 单一同位素质量: 359.28242943
• SMILES: C1(OCCC(C1)(CCC(C)C)CC/N=C/c1ccc(cc1)OC)C(C)C
• Canonical SMILES: COc1ccc(cc1)/C=N/CCC1(CCOC(C1)C(C)C)CCC(C)C
• InChI: InChI=1S/C23H37NO2/c1-18(2)10-11-23(13-15-26-22(16-23)19(3)4)12-14-24-17-20-6-8-21(25-5)9-7-20/h6-9,17-19,22H,10-16H2,1-5H3/b24-17+
• InChIKey: OUCBQFUPVWLMFD-JJIBRWJFSA-N

名称和登记号

名称

• IUPAC标准名: (E)-[(4-methoxyphenyl)methylidene]({2-[4-(3-methylbutyl)-2-(propan-2-yl)oxan-4-yl]ethyl})amine
• IUPAC传统名: (E)-{2-[2-isopropyl-4-(3-methylbutyl)oxan-4-yl]ethyl}[(4-methoxyphenyl)methylidene]amine

登记号

• PubChem SID: 164258503
• PubChem CID: 5105268

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.6801386
• LogD (pH = 7.4): 5.3559575
• Log P: 5.777659
• 摩尔折射率: 110.2716 cm^3
• 极化性: 43.015423 Å^3
• 极化表面积: 30.82 Å^2
• 可自由旋转的化学键: 9
• 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