9-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}-3-azaspiro[5.5]undecane

• ChemBase ID: 353354
• Molecular Formular: C19H35N3
• Molecular Mass: 305.5013
• Monoisotopic Mass: 305.28309814
• SMILES: N1(CC2(CN(CC2)C)CCC1)C1CCC2(CC1)CCNCC2
• Canonical SMILES: CN1CCC2(C1)CCCN(C2)C1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C19H35N3/c1-21-14-10-19(15-21)5-2-13-22(16-19)17-3-6-18(7-4-17)8-11-20-12-9-18/h17,20H,2-16H2,1H3
• InChIKey: NMJZPIGGSODBMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}-3-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-{2-methyl-2,7-diazaspiro[4.5]decan-7-yl}-3-azaspiro[5.5]undecane
• Synonyms: 9-(2-methyl-2,7-diazaspiro[4.5]dec-7-yl)-3-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -7.016947
• LogD (pH = 7.4): -4.3867855
• Log P: 1.9843442
• Molar Refractivity: 94.0378 cm^3
• Polarizability: 37.423393 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.76
• LOG S: -2.78
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 1