7-(cyclopropylmethyl)-2-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 786451
• Molecular Formular: C18H30N4
• Molecular Mass: 302.4576
• Monoisotopic Mass: 302.24704698
• SMILES: c1(n(c(nc1)C)C)CN1CC2(CN(CC3CC3)CCC2)CC1
• Canonical SMILES: Cn1c(cnc1C)CN1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C18H30N4/c1-15-19-10-17(20(15)2)12-22-9-7-18(14-22)6-3-8-21(13-18)11-16-4-5-16/h10,16H,3-9,11-14H2,1-2H3
• InChIKey: QPJOPBGUXDPYFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-[(2,3-dimethylimidazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclopropylmethyl)-2-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.8198807
• LogD (pH = 7.4): -1.653109
• Log P: 1.3912741
• Molar Refractivity: 91.494 cm^3
• Polarizability: 35.48034 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.98
• LOG S: -1.54
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4