4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane

C33H63N5 — CID 159328405

About 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;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;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (PubChem CID 159328405) has the molecular formula C33H63N5 and a molecular weight of 529.90 g/mol. Its IUPAC name is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;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;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
• PubChem CID: 159328405
• Molecular Formula: C33H63N5
• Molecular Weight: 529.90 g/mol
• Exact Mass: 529.51
• IUPAC Name: 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane
• SMILES: CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCCC(C2)C1.CN1CCCC2NCCC21
• InChI: InChI=1S/C10H19N.C8H16N2.C8H15N.C7H13N/c1-11-6-5-9-3-2-4-10(7-9)8-11;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/h9-10H,2-8H2,1H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3
• InChIKey: LEQYOVWHRRTYHZ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 24.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.90
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;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;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane (CID 159328405) is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;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;3-methyl-3-azabicyclo[4.3.1]decane;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;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCC2CCCC(C2)C1.CN1CCCC2NCCC21.

What is the InChIKey of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane?

The InChIKey is LEQYOVWHRRTYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C8H16N2.C8H15N.C7H13N/c1-11-6-5-9-3-2-4-10(7-9)8-11;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/h9-10H,2-8H2,1H3;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;3-methyl-3-azabicyclo[4.3.1]decane;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;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane has a molecular weight of 529.90 g/mol, XLogP of 5.30, 0 rotatable bonds, 1 hydrogen bond donors, and 5 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;3-methyl-3-azabicyclo[4.3.1]decane;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 159328405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).