1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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

C32H61N5 — CID 158962903

About 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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

1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 158962903) has the molecular formula C32H61N5 and a molecular weight of 515.88 g/mol. Its IUPAC name is 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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: 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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: 158962903
• Molecular Formula: C32H61N5
• Molecular Weight: 515.88 g/mol
• Exact Mass: 515.49
• IUPAC Name: 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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.CN1CCCC2CCCC21
• InChI: InChI=1S/C9H17N.C8H16N2.C8H15N.C7H13N/c1-10-7-3-5-8-4-2-6-9(8)10;1-10-5-3-7-2-4-9-8(7)6-10;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h8-9H,2-7H2,1H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
• InChIKey: JMVOARUUPXXUAF-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 24.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.88
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 158962903) is 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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.CN1CCCC2CCCC21.

What is the InChIKey of 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 JMVOARUUPXXUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H16N2.C8H15N.C7H13N/c1-10-7-3-5-8-4-2-6-9(8)10;1-10-5-3-7-2-4-9-8(7)6-10;1-9-6-7-2-4-8(9)5-3-7;1-8-6-2-3-7(8)5-4-6/h8-9H,2-7H2,1H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3.

What are the key properties of 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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?

1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 515.88 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[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 158962903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).