1-ethyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 686837
• Molecular Formular: C11H19N3O2
• Molecular Mass: 225.28746
• Monoisotopic Mass: 225.14772686
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)CC)C
• Canonical SMILES: CCN1C(=O)N(C(=O)C21CCN(CC2)C)C
• InChI: InChI=1S/C11H19N3O2/c1-4-14-10(16)13(3)9(15)11(14)5-7-12(2)8-6-11/h4-8H2,1-3H3
• InChIKey: GNJRFCVKPRLDPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1-ethyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1-ethyl-3,8-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.386543
• LogD (pH = 7.4): -1.6693674
• Log P: -0.3911071
• Molar Refractivity: 61.079 cm^3
• Polarizability: 23.504938 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.6
• LOG S: -0.24
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 0