3-methyl-3,9-diazaspiro[5.6]dodecane

• ChemBase ID: 309075
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CCC2(CC1)CCNCCC2)C
• Canonical SMILES: CN1CCC2(CC1)CCNCCC2
• InChI: InChI=1S/C11H22N2/c1-13-9-5-11(6-10-13)3-2-7-12-8-4-11/h12H,2-10H2,1H3
• InChIKey: IALAEASTAWASBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3,9-diazaspiro[5.6]dodecane
• IUPAC Traditional name: 3-methyl-3,9-diazaspiro[5.6]dodecane
• Synonyms: 3-methyl-3,9-diazaspiro[5.6]dodecane

Database IDs

• CAS Number: 1256643-45-4
• MDL Number: MFCD18381891

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.7646513
• LogD (pH = 7.4): -4.561819
• Log P: 0.93222624
• Molar Refractivity: 56.985 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2