9-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-methyl-3,9-diazaspiro[5.6]dodecane

• ChemBase ID: 840931
• Molecular Formular: C18H32N4O
• Molecular Mass: 320.47288
• Monoisotopic Mass: 320.25761166
• SMILES: c1(n(ccn1)CCOC)CN1CCC2(CCN(CC2)C)CCC1
• Canonical SMILES: COCCn1ccnc1CN1CCCC2(CC1)CCN(CC2)C
• InChI: InChI=1S/C18H32N4O/c1-20-10-5-18(6-11-20)4-3-9-21(12-7-18)16-17-19-8-13-22(17)14-15-23-2/h8,13H,3-7,9-12,14-16H2,1-2H3
• InChIKey: NJAALMDCYCJTDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-methyl-3,9-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 9-{[1-(2-methoxyethyl)imidazol-2-yl]methyl}-3-methyl-3,9-diazaspiro[5.6]dodecane
• Synonyms: 9-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-methyl-3,9-diazaspiro[5.6]dodecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.5500584
• LogD (pH = 7.4): -1.8973732
• Log P: 1.1711442
• Molar Refractivity: 95.1143 cm^3
• Polarizability: 36.972 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.71
• LOG S: -1.99
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 5