4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane

C31H60N6 — CID 159933527

About 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane

4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 159933527) has the molecular formula C31H60N6 and a molecular weight of 516.86 g/mol. Its IUPAC name is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

• Compound Name: 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
• PubChem CID: 159933527
• Molecular Formula: C31H60N6
• Molecular Weight: 516.86 g/mol
• Exact Mass: 516.49
• IUPAC Name: 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
• SMILES: CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCNC2C1.CN1CCCC2NCCC21
• InChI: InChI=1S/2C8H16N2.C8H15N.C7H13N/c1-10-5-3-7-2-4-9-8(7)6-10;1-10-6-2-3-7-8(10)4-5-9-7;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h2*7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
• InChIKey: NZYGHBSHUORLBM-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 37.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.86
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?

The IUPAC name of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (CID 159933527) is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane.

What is the SMILES notation for 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?

The canonical SMILES for 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCNC2C1.CN1CCCC2NCCC21.

What is the InChIKey of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?

The InChIKey is NZYGHBSHUORLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16N2.C8H15N.C7H13N/c1-10-5-3-7-2-4-9-8(7)6-10;1-10-6-2-3-7-8(10)4-5-9-7;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h2*7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3.

What are the key properties of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?

4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 516.86 g/mol, XLogP of 3.48, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;6-methyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 159933527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).