2-ethyl-2,8-diazaspiro[5.5]undecane

• ChemBase ID: 306573
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CC2(CNCCC2)CCC1)CC
• Canonical SMILES: CCN1CCCC2(C1)CCCNC2
• InChI: InChI=1S/C11H22N2/c1-2-13-8-4-6-11(10-13)5-3-7-12-9-11/h12H,2-10H2,1H3
• InChIKey: VBSFDWZWDAXBML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-2,8-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-ethyl-2,8-diazaspiro[5.5]undecane
• Synonyms: 2-ethyl-2,8-diazaspiro[5.5]undecane

Database IDs

• CAS Number: 1083216-68-5
• MDL Number: MFCD11894858

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.78632
• LogD (pH = 7.4): -2.6057265
• Log P: 1.1562804
• Molar Refractivity: 56.8246 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2