4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium

C32H65N6+ — CID 162014543

About 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium

4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium (PubChem CID 162014543) has the molecular formula C32H65N6+ and a molecular weight of 533.91 g/mol. Its IUPAC name is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium.

Molecular Properties

• Compound Name: 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium
• PubChem CID: 162014543
• Molecular Formula: C32H65N6+
• Molecular Weight: 533.91 g/mol
• Exact Mass: 533.53
• IUPAC Name: 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium
• SMILES: CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21.C[N+](C)(C)CCC1CCNC1
• InChI: InChI=1S/C9H21N2.C8H16N2.C8H15N.C7H13N/c1-11(2,3)7-5-9-4-6-10-8-9;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,4-8H2,1-3H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3/q+1
• InChIKey: CREJDJQRLQAIGE-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 33.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.91
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium (CID 162014543) is 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium.

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

The canonical SMILES for 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium is CN1C2CCC1CC2.CN1CC2CCC1CC2.CN1CCCC2NCCC21.C[N+](C)(C)CCC1CCNC1.

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

The InChIKey is CREJDJQRLQAIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2.C8H16N2.C8H15N.C7H13N/c1-11(2,3)7-5-9-4-6-10-8-9;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,4-8H2,1-3H3;7-9H,2-6H2,1H3;7-8H,2-6H2,1H3;6-7H,2-5H2,1H3/q+1;;;.

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

4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium has a molecular weight of 533.91 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 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;7-methyl-7-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;trimethyl(2-pyrrolidin-3-ylethyl)azanium is sourced from PubChem (CID 162014543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).