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

• ChemBase ID: 309076
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CCC2(CCC1)CCNCC2)C
• Canonical SMILES: CN1CCCC2(CC1)CCNCC2
• InChI: InChI=1S/C11H22N2/c1-13-9-2-3-11(6-10-13)4-7-12-8-5-11/h12H,2-10H2,1H3
• InChIKey: DZAMDNTYVOESPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917015

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.769321
• LogD (pH = 7.4): -4.4928713
• Log P: 0.93222624
• Molar Refractivity: 56.985 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2