2-benzyl-2,8-diazaspiro[5.5]undecane

• ChemBase ID: 310452
• Molecular Formular: C16H24N2
• Molecular Mass: 244.37516
• Monoisotopic Mass: 244.19394878
• SMILES: N1(CC2(CNCCC2)CCC1)Cc1ccccc1
• Canonical SMILES: C1CCC2(CN1)CCCN(C2)Cc1ccccc1
• InChI: InChI=1S/C16H24N2/c1-2-6-15(7-3-1)12-18-11-5-9-16(14-18)8-4-10-17-13-16/h1-3,6-7,17H,4-5,8-14H2
• InChIKey: VOWXMZNSTISHLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-2,8-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-benzyl-2,8-diazaspiro[5.5]undecane
• Synonyms: 2-benzyl-2,8-diazaspiro[5.5]undecane

Database IDs

• CAS Number: 401648-35-9
• MDL Number: MFCD02233161

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2266574
• LogD (pH = 7.4): -1.023901
• Log P: 2.5239456
• Molar Refractivity: 76.6886 cm^3
• Polarizability: 30.397923 Å^3
• Polar Surface Area: 15.27 Å^2