9-methyl-2,9-diazaspiro[5.5]undecane

• ChemBase ID: 58963
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: C12(CCN(CC1)C)CNCCC2
• Canonical SMILES: CN1CCC2(CC1)CCCNC2
• InChI: InChI=1S/C10H20N2/c1-12-7-4-10(5-8-12)3-2-6-11-9-10/h11H,2-9H2,1H3
• InChIKey: DPAUGPILPAZRRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-2,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 9-methyl-2,9-diazaspiro[5.5]undecane
• Synonyms: 9-Methyl-2,9-diazaspiro[5.5]undecane

Database IDs

• MDL Number: MFCD16618486
• PubChem SID: 162063726
• PubChem CID: 20713880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.058271
• LogD (pH = 7.4): -4.8088684
• Log P: 0.64356506
• Molar Refractivity: 52.23 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