tert-butyl 2,7-diazaspiro[4.5]decane-2-carboxylate

• ChemBase ID: 309148
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C(=O)(N1CC2(CC1)CNCCC2)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(C1)CCCNC2)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-6-13(10-15)5-4-7-14-9-13/h14H,4-10H2,1-3H3
• InChIKey: OGAFPCPHUIPWEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 2,7-diazaspiro[4.5]decane-2-carboxylate
• IUPAC Traditional name: tert-butyl 2,7-diazaspiro[4.5]decane-2-carboxylate
• Synonyms: tert-butyl 2,7-diazaspiro[4.5]decane-2-carboxylate

Database IDs

• CAS Number: 852339-03-8
• MDL Number: MFCD08234437

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9693129
• LogD (pH = 7.4): -1.3544759
• Log P: 1.255049
• Molar Refractivity: 67.1754 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 41.57 Å^2