tert-butyl 1,4-diazaspiro[5.5]undecane-1-carboxylate

• ChemBase ID: 805373
• Molecular Formular: C14H26N2O2
• Molecular Mass: 254.36844
• Monoisotopic Mass: 254.19942808
• SMILES: N1(CCNCC21CCCCC2)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCNCC21CCCCC2)OC(C)(C)C
• InChI: InChI=1S/C14H26N2O2/c1-13(2,3)18-12(17)16-10-9-15-11-14(16)7-5-4-6-8-14/h15H,4-11H2,1-3H3
• InChIKey: YOCVLCXUWAQDSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 1,4-diazaspiro[5.5]undecane-1-carboxylate
• IUPAC Traditional name: tert-butyl 1,4-diazaspiro[5.5]undecane-1-carboxylate
• Synonyms: 1,4-DIAZA-SPIRO[5.5]UNDECANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.23907562
• LogD (pH = 7.4): 1.4949238
• Log P: 2.2774255
• Molar Refractivity: 71.3477 cm^3
• Polarizability: 28.48516 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%