(1R,5S,8S)-8-methoxy-3-[(1-propyl-1H-imidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane

• ChemBase ID: 787145
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: c1(n(ccn1)CCC)CN1C[C@@H]2[C@@H]([C@H](C1)CC2)OC
• Canonical SMILES: CCCn1ccnc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2OC
• InChI: InChI=1S/C15H25N3O/c1-3-7-18-8-6-16-14(18)11-17-9-12-4-5-13(10-17)15(12)19-2/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3/t12-,13+,15+
• InChIKey: YBLVODFHHHLCKC-NHAGDIPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,5S,8S)-8-methoxy-3-[(1-propyl-1H-imidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
• IUPAC Traditional name: (1R,5S,8S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
• Synonyms: (8-syn)-8-methoxy-3-[(1-propyl-1H-imidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7487196
• LogD (pH = 7.4): 0.970632
• Log P: 1.4284527
• Molar Refractivity: 76.5579 cm^3
• Polarizability: 29.9178 Å^3
• Polar Surface Area: 30.29 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: 1.79
• LOG S: -1.64
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5