(4aR,8aR)-decahydro-1,5-naphthyridine

• ChemBase ID: 282856
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1[C@H]2[C@H](NCCC2)CCC1
• Canonical SMILES: C1CN[C@H]2[C@@H](C1)NCCC2
• InChI: InChI=1S/C8H16N2/c1-3-7-8(9-5-1)4-2-6-10-7/h7-10H,1-6H2/t7-,8-/m1/s1
• InChIKey: RQPDLNSKAAOHTF-HTQZYQBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4aR,8aR)-decahydro-1,5-naphthyridine
• IUPAC Traditional name: (4aR,8aR)-decahydro-1,5-naphthyridine
• Synonyms: (4aR,8aR)-decahydro-1,5-naphthyridine

Database IDs

• MDL Number: MFCD10566981
• PubChem SID: 180668387
• PubChem CID: 11083982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4013324
• LogD (pH = 7.4): -2.2763832
• Log P: 0.3738472
• Molar Refractivity: 41.8402 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.052

Product Information

• Purity: 95%