7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

• ChemBase ID: 309019
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C12(C(=O)NCCCN1C)CCNCC2
• Canonical SMILES: CN1CCCNC(=O)C21CCNCC2
• InChI: InChI=1S/C10H19N3O/c1-13-8-2-5-12-9(14)10(13)3-6-11-7-4-10/h11H,2-8H2,1H3,(H,12,14)
• InChIKey: GZQPNYYGULUSCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
• IUPAC Traditional name: 7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
• Synonyms: 7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

Database IDs

• MDL Number: MFCD18447644

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.668214
• LogD (pH = 7.4): -3.7831938
• Log P: -1.1547736
• Molar Refractivity: 55.8842 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 44.37 Å^2