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

• ChemBase ID: 247648
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: N1(CC2C(NCC2)CC1)C
• Canonical SMILES: CN1CCC2C(C1)CCN2
• InChI: InChI=1S/C8H16N2/c1-10-5-3-8-7(6-10)2-4-9-8/h7-9H,2-6H2,1H3
• InChIKey: UFTKWLHJIFCQPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-octahydro-1H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 5-methyl-octahydropyrrolo[3,2-c]pyridine
• Synonyms: 5-methyl-octahydro-1H-pyrrolo[3,2-c]pyridine

Database IDs

• PubChem SID: 164303558
• PubChem CID: 59418221

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.6319923
• LogD (pH = 7.4): -5.0122824
• Log P: -0.16028167
• Molar Refractivity: 42.8293 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): 0.033

Product Information

• Purity: 95%