tert-butyl decahydro-1,5-naphthyridine-1-carboxylate

• ChemBase ID: 261512
• Molecular Formular: C13H24N2O2
• Molecular Mass: 240.34186
• Monoisotopic Mass: 240.18377802
• SMILES: C(=O)(N1C2C(NCCC2)CCC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC2C1CCCN2)OC(C)(C)C
• InChI: InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-9-5-6-10-11(15)7-4-8-14-10/h10-11,14H,4-9H2,1-3H3
• InChIKey: NJASRKUXYJXBNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl decahydro-1,5-naphthyridine-1-carboxylate
• IUPAC Traditional name: tert-butyl octahydro-2H-1,5-naphthyridine-1-carboxylate
• Synonyms: tert-butyl decahydro-1,5-naphthyridine-1-carboxylate

Database IDs

• MDL Number: MFCD09863462
• PubChem SID: 164317422
• PubChem CID: 43184609

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.539867
• LogD (pH = 7.4): -0.60033363
• Log P: 1.6570402
• Molar Refractivity: 66.8353 cm^3
• Polarizability: 26.645468 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.439

Product Information

• Purity: 95%