2,2-dimethylpropyl 2,7-diazaspiro[4.5]decane-2-carboxylate

• ChemBase ID: 413709
• Molecular Formular: C14H26N2O2
• Molecular Mass: 254.36844
• Monoisotopic Mass: 254.19942808
• SMILES: N1(C(=O)OCC(C)(C)C)CC2(CC1)CNCCC2
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2)OCC(C)(C)C
• InChI: InChI=1S/C14H26N2O2/c1-13(2,3)11-18-12(17)16-8-6-14(10-16)5-4-7-15-9-14/h15H,4-11H2,1-3H3
• InChIKey: HXRWEBKJWGQQIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpropyl 2,7-diazaspiro[4.5]decane-2-carboxylate
• IUPAC Traditional name: 2,2-dimethylpropyl 2,7-diazaspiro[4.5]decane-2-carboxylate
• Synonyms: 2,2-dimethylpropyl 2,7-diazaspiro[4.5]decane-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4009686
• LogD (pH = 7.4): -0.7861315
• Log P: 1.8233933
• Molar Refractivity: 71.5121 cm^3
• Polarizability: 28.48516 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.12
• LOG S: -1.86
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3