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

• ChemBase ID: 309609
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CC2(CCC1)CCNCC2)C
• Canonical SMILES: CN1CCCC2(C1)CCNCC2
• InChI: InChI=1S/C10H20N2/c1-12-8-2-3-10(9-12)4-6-11-7-5-10/h11H,2-9H2,1H3
• InChIKey: BIEJYKKRBBVADH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11053748

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.0163174
• LogD (pH = 7.4): -4.428883
• Log P: 0.64356506
• Molar Refractivity: 52.23 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2