7-methyl-2,7-diazaspiro[4.5]decane

• ChemBase ID: 309009
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC2(CNCC2)CCC1)C
• Canonical SMILES: CN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C9H18N2/c1-11-6-2-3-9(8-11)4-5-10-7-9/h10H,2-8H2,1H3
• InChIKey: XYAVBNPTWXQIAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-methyl-2,7-diazaspiro[4.5]decane
• Synonyms: 7-methyl-2,7-diazaspiro[4.5]decane

Database IDs

• CAS Number: 1086395-12-1
• MDL Number: MFCD11223551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.3015385
• LogD (pH = 7.4): -3.4488783
• Log P: 0.35490382
• Molar Refractivity: 47.475 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2