dimethyl[(3-{[8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}phenyl)methyl]amine

• ChemBase ID: 622958
• Molecular Formular: C23H32N4
• Molecular Mass: 364.52698
• Monoisotopic Mass: 364.26269704
• SMILES: N1(C2(CCN(c3ncccc3)CC2)CCC1)Cc1cc(CN(C)C)ccc1
• Canonical SMILES: CN(Cc1cccc(c1)CN1CCCC21CCN(CC2)c1ccccn1)C
• InChI: InChI=1S/C23H32N4/c1-25(2)18-20-7-5-8-21(17-20)19-27-14-6-10-23(27)11-15-26(16-12-23)22-9-3-4-13-24-22/h3-5,7-9,13,17H,6,10-12,14-16,18-19H2,1-2H3
• InChIKey: REVZOMDTSJCNGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(3-{[8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}phenyl)methyl]amine
• IUPAC Traditional name: dimethyl[(3-{[8-(pyridin-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl}phenyl)methyl]amine
• Synonyms: N,N-dimethyl-1-(3-{[8-(2-pyridinyl)-1,8-diazaspiro[4.5]dec-1-yl]methyl}phenyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.7316258
• LogD (pH = 7.4): -0.23020054
• Log P: 3.4803169
• Molar Refractivity: 114.6802 cm^3
• Polarizability: 43.90268 Å^3
• Polar Surface Area: 22.61 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: 3.08
• LOG S: -3.48
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 5