tert-butyl 3,9-diazaspiro[5.6]dodecane-3-carboxylate

• ChemBase ID: 309074
• Molecular Formular: C15H28N2O2
• Molecular Mass: 268.39502
• Monoisotopic Mass: 268.21507815
• SMILES: C(=O)(N1CCC2(CC1)CCNCCC2)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC2(CC1)CCNCCC2)OC(C)(C)C
• InChI: InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-11-7-15(8-12-17)5-4-9-16-10-6-15/h16H,4-12H2,1-3H3
• InChIKey: MCLHMSGEDWSROH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3,9-diazaspiro[5.6]dodecane-3-carboxylate
• IUPAC Traditional name: tert-butyl 3,9-diazaspiro[5.6]dodecane-3-carboxylate
• Synonyms: tert-butyl 3,9-diazaspiro[5.6]dodecane-3-carboxylate

Database IDs

• CAS Number: 1256643-27-2
• MDL Number: MFCD18381890

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4041919
• LogD (pH = 7.4): -1.1077423
• Log P: 1.8323714
• Molar Refractivity: 76.6854 cm^3
• Polarizability: 30.32565 Å^3
• Polar Surface Area: 41.57 Å^2