tert-butyl N-{6-azaspiro[2.5]octan-1-yl}carbamate

• ChemBase ID: 282819
• Molecular Formular: C12H22N2O2
• Molecular Mass: 226.31528
• Monoisotopic Mass: 226.16812795
• SMILES: C1(C2(C1)CCNCC2)NC(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NC1CC21CCNCC2
• InChI: InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-9-8-12(9)4-6-13-7-5-12/h9,13H,4-8H2,1-3H3,(H,14,15)
• InChIKey: ZVFIWIQKOQJBCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-{6-azaspiro[2.5]octan-1-yl}carbamate
• IUPAC Traditional name: tert-butyl N-{6-azaspiro[2.5]octan-1-yl}carbamate
• Synonyms: tert-butyl N-{6-azaspiro[2.5]octan-1-yl}carbamate

Database IDs

• MDL Number: MFCD20441688
• PubChem SID: 180668350
• PubChem CID: 15282171

CALCULATED PROPERTIES

• Log P: 0.9352325
• Molar Refractivity: 62.1029 cm^3
• Polarizability: 24.80672 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.093184
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2847245
• LogD (pH = 7.4): -1.596654

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.235

Product Information

• Purity: 95%