1-methyl-decahydro-1,6-naphthyridine

• ChemBase ID: 239399
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(C2C(CNCC2)CCC1)C
• Canonical SMILES: CN1CCCC2C1CCNC2
• InChI: InChI=1S/C9H18N2/c1-11-6-2-3-8-7-10-5-4-9(8)11/h8-10H,2-7H2,1H3
• InChIKey: KAWCNZLKKVCXSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-decahydro-1,6-naphthyridine
• IUPAC Traditional name: 1-methyl-octahydro-2H-1,6-naphthyridine
• Synonyms: 1-methyl-decahydro-1,6-naphthyridine

Database IDs

• MDL Number: MFCD22378737
• PubChem SID: 164295309
• PubChem CID: 71756405

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6376452
• LogD (pH = 7.4): -3.5100343
• Log P: 0.284287
• Molar Refractivity: 47.4303 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.592

Product Information

• Purity: 95%