(7-methoxy-3,7-dimethyloctyl)[5-(morpholin-4-yl)pentyl]amine

• ChemBase ID: 378501
• Molecular Formular: C20H42N2O2
• Molecular Mass: 342.55968
• Monoisotopic Mass: 342.32462859
• SMILES: N1(CCCCCNCCC(CCCC(OC)(C)C)C)CCOCC1
• Canonical SMILES: COC(CCCC(CCNCCCCCN1CCOCC1)C)(C)C
• InChI: InChI=1S/C20H42N2O2/c1-19(9-8-11-20(2,3)23-4)10-13-21-12-6-5-7-14-22-15-17-24-18-16-22/h19,21H,5-18H2,1-4H3
• InChIKey: MOYVRQRQBIRQGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-methoxy-3,7-dimethyloctyl)[5-(morpholin-4-yl)pentyl]amine
• IUPAC Traditional name: (7-methoxy-3,7-dimethyloctyl)[5-(morpholin-4-yl)pentyl]amine
• Synonyms: (7-methoxy-3,7-dimethyloctyl)[5-(4-morpholinyl)pentyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9638838
• LogD (pH = 7.4): -0.011024742
• Log P: 3.4773803
• Molar Refractivity: 103.8601 cm^3
• Polarizability: 41.28859 Å^3
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.41
• LOG S: -3.6
• Polar Surface Area: 33.73 Å^2
• Rotatable Bonds: 14