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

• ChemBase ID: 57187
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: C12(CNCCC1)CN(CCC2)C
• Canonical SMILES: CN1CCCC2(C1)CCCNC2
• InChI: InChI=1S/C10H20N2/c1-12-7-3-5-10(9-12)4-2-6-11-8-10/h11H,2-9H2,1H3
• InChIKey: HHIKCULWCMZQRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 845290-58-6
• MDL Number: MFCD03768342
• PubChem SID: 162061950
• PubChem CID: 3623048

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.939241
• LogD (pH = 7.4): -2.7363849
• Log P: 0.7994725
• Molar Refractivity: 52.076 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false