1-methyl-octahydro-1H-pyrrolo[2,3-c]pyridine

• ChemBase ID: 247351
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(C2C(CC1)CCNC2)C
• Canonical SMILES: CN1CCC2C1CNCC2
• InChI: InChI=1S/C8H16N2/c1-10-5-3-7-2-4-9-6-8(7)10/h7-9H,2-6H2,1H3
• InChIKey: DGKKRYRUSCGLGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-octahydro-1H-pyrrolo[2,3-c]pyridine
• IUPAC Traditional name: 1-methyl-octahydropyrrolo[2,3-c]pyridine
• Synonyms: 1-methyl-octahydro-1H-pyrrolo[2,3-c]pyridine

Database IDs

• PubChem SID: 164303261
• PubChem CID: 68080074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6231658
• LogD (pH = 7.4): -2.3879192
• Log P: 0.18277054
• Molar Refractivity: 42.6637 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.235

Product Information

• Purity: 95%