methyl[3-(5-methylfuran-2-yl)butyl](pyrazin-2-ylmethyl)amine

• ChemBase ID: 844175
• Molecular Formular: C15H21N3O
• Molecular Mass: 259.34674
• Monoisotopic Mass: 259.16846231
• SMILES: c1(oc(cc1)C)C(CCN(Cc1nccnc1)C)C
• Canonical SMILES: CN(Cc1cnccn1)CCC(c1ccc(o1)C)C
• InChI: InChI=1S/C15H21N3O/c1-12(15-5-4-13(2)19-15)6-9-18(3)11-14-10-16-7-8-17-14/h4-5,7-8,10,12H,6,9,11H2,1-3H3
• InChIKey: AOWFFLHNAWRYOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(5-methylfuran-2-yl)butyl](pyrazin-2-ylmethyl)amine
• IUPAC Traditional name: methyl[3-(5-methylfuran-2-yl)butyl](pyrazin-2-ylmethyl)amine
• Synonyms: N-methyl-3-(5-methyl-2-furyl)-N-(pyrazin-2-ylmethyl)butan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.41515866
• LogD (pH = 7.4): 1.1823808
• Log P: 1.4873459
• Molar Refractivity: 75.8995 cm^3
• Polarizability: 29.253872 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.12
• LOG S: -1.9
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 6