1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N,N-dimethylazepan-4-amine

• ChemBase ID: 514579
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(nnc(o1)CN1CCC(N(C)C)CCC1)C1CC1
• Canonical SMILES: CN(C1CCCN(CC1)Cc1nnc(o1)C1CC1)C
• InChI: InChI=1S/C14H24N4O/c1-17(2)12-4-3-8-18(9-7-12)10-13-15-16-14(19-13)11-5-6-11/h11-12H,3-10H2,1-2H3
• InChIKey: OGBVRSCSYCQUGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N,N-dimethylazepan-4-amine
• IUPAC Traditional name: 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N,N-dimethylazepan-4-amine
• Synonyms: 1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N,N-dimethyl-4-azepanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.5518925
• LogD (pH = 7.4): -2.3152735
• Log P: 0.4162785
• Molar Refractivity: 76.7889 cm^3
• Polarizability: 29.051544 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.59
• LOG S: -0.62
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4