1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

• ChemBase ID: 308909
• Molecular Formular: C10H21N3
• Molecular Mass: 183.29384
• Monoisotopic Mass: 183.17354769
• SMILES: C12(N(CCN(C1)C)C)CCNCC2
• Canonical SMILES: CN1CCN(C2(C1)CCNCC2)C
• InChI: InChI=1S/C10H21N3/c1-12-7-8-13(2)10(9-12)3-5-11-6-4-10/h11H,3-9H2,1-2H3
• InChIKey: FJABDCUMZINBPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
• IUPAC Traditional name: 1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
• Synonyms: 1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

Database IDs

• MDL Number: MFCD18806036

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.985334
• LogD (pH = 7.4): -5.062603
• Log P: -0.39518404
• Molar Refractivity: 56.0842 cm^3
• Polarizability: 22.286194 Å^3
• Polar Surface Area: 18.51 Å^2