2-methyl-2,6-diazaspiro[3.3]heptane

• ChemBase ID: 309242
• Molecular Formular: C6H12N2
• Molecular Mass: 112.17288
• Monoisotopic Mass: 112.10004839
• SMILES: C12(CN(C1)C)CNC2
• Canonical SMILES: CN1CC2(C1)CNC2
• InChI: InChI=1S/C6H12N2/c1-8-4-6(5-8)2-7-3-6/h7H,2-5H2,1H3
• InChIKey: ALPTZPFVGLVIKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2,6-diazaspiro[3.3]heptane
• IUPAC Traditional name: 2-methyl-2,6-diazaspiro[3.3]heptane
• Synonyms: 2-methyl-2,6-diazaspiro[3.3]heptane

Database IDs

• CAS Number: 1203567-11-6
• MDL Number: MFCD22205723

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.488424
• LogD (pH = 7.4): -3.3081398
• Log P: -0.66698724
• Molar Refractivity: 33.364 cm^3
• Polarizability: 13.381781 Å^3
• Polar Surface Area: 15.27 Å^2