N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine

• ChemBase ID: 652769
• Molecular Formular: C15H26N2O
• Molecular Mass: 250.37974
• Monoisotopic Mass: 250.20451346
• SMILES: N1(CC(N(C)C)CCC1)Cc1oc(cc1)CCC
• Canonical SMILES: CCCc1ccc(o1)CN1CCCC(C1)N(C)C
• InChI: InChI=1S/C15H26N2O/c1-4-6-14-8-9-15(18-14)12-17-10-5-7-13(11-17)16(2)3/h8-9,13H,4-7,10-12H2,1-3H3
• InChIKey: ZACBQMHEMLQSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
• IUPAC Traditional name: N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
• Synonyms: N,N-dimethyl-1-[(5-propyl-2-furyl)methyl]piperidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.95097464
• LogD (pH = 7.4): 0.42137554
• Log P: 2.6257508
• Molar Refractivity: 76.4966 cm^3
• Polarizability: 29.704042 Å^3
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.7
• LOG S: -2.33
• Polar Surface Area: 19.62 Å^2
• Rotatable Bonds: 5