9-ethyl-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 309292
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CCC2(CC1)CNCCC2)CC
• Canonical SMILES: CCN1CCC2(CC1)CCCNC2
• InChI: InChI=1S/C11H22N2/c1-2-13-8-5-11(6-9-13)4-3-7-12-10-11/h12H,2-10H2,1H3
• InChIKey: NTLOBCCYUKSOHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 9-ethyl-2,9-diazaspiro[5.5]undecane
• Synonyms: 9-ethyl-2,9-diazaspiro[5.5]undecane

Database IDs

• CAS Number: 1227465-74-8
• MDL Number: MFCD16556125

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6779494
• LogD (pH = 7.4): -4.2275133
• Log P: 1.000373
• Molar Refractivity: 56.9786 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2