dimethyl({5-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]furan-2-yl}methyl)amine

• ChemBase ID: 856118
• Molecular Formular: C25H35N3O2
• Molecular Mass: 409.5643
• Monoisotopic Mass: 409.27292738
• SMILES: N1(C(=O)c2oc(cc2)CN(C)C)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: CN(Cc1ccc(o1)C(=O)N1CCC2(C1)CCCN(C2)CCCc1ccccc1)C
• InChI: InChI=1S/C25H35N3O2/c1-26(2)18-22-11-12-23(30-22)24(29)28-17-14-25(20-28)13-7-16-27(19-25)15-6-10-21-8-4-3-5-9-21/h3-5,8-9,11-12H,6-7,10,13-20H2,1-2H3
• InChIKey: AHAGAIAJXBNOIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({5-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]furan-2-yl}methyl)amine
• IUPAC Traditional name: dimethyl({5-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]furan-2-yl}methyl)amine
• Synonyms: N,N-dimethyl-1-(5-{[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-2-furyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1866555
• LogD (pH = 7.4): 0.87972367
• Log P: 3.198368
• Molar Refractivity: 122.4911 cm^3
• Polarizability: 46.929493 Å^3
• Polar Surface Area: 39.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.09
• LOG S: -3.44
• Polar Surface Area: 39.93 Å^2
• Rotatable Bonds: 6