3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

• ChemBase ID: 309052
• Molecular Formular: C11H23N3
• Molecular Mass: 197.32042
• Monoisotopic Mass: 197.18919775
• SMILES: C12(N(CCCNC2)C)CCN(CC1)C
• Canonical SMILES: CN1CCC2(CC1)CNCCCN2C
• InChI: InChI=1S/C11H23N3/c1-13-8-4-11(5-9-13)10-12-6-3-7-14(11)2/h12H,3-10H2,1-2H3
• InChIKey: IXJLTJOUBXPZHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• IUPAC Traditional name: 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
• Synonyms: 3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

Database IDs

• MDL Number: MFCD18447645

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -8.248536
• LogD (pH = 7.4): -5.5165224
• Log P: -0.3352243
• Molar Refractivity: 60.9496 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2