2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane

C59H112N10 — CID 157217853

About 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 157217853) has the molecular formula C59H112N10 and a molecular weight of 961.61 g/mol. Its IUPAC name is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

• Compound Name: 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
• PubChem CID: 157217853
• Molecular Formula: C59H112N10
• Molecular Weight: 961.61 g/mol
• Exact Mass: 960.91
• IUPAC Name: 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
• SMILES: CN1C2CCC1CC2.CN1C2CCC1CNC2.CN1C2CCCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCC1C2.CN1CC2CCCC2C1
• InChI: InChI=1S/3C8H15N.2C7H14N2.3C7H13N/c1-9-5-7-3-2-4-8(7)6-9;2*1-9-7-3-2-4-8(9)6-5-7;1-9-4-6-2-3-7(5-9)8-6;1-9-6-2-3-7(9)5-8-4-6;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h3*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;3*6-7H,2-5H2,1H3
• InChIKey: ASPZABDBGPAZFN-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 49.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.61
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?

The IUPAC name of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 157217853) is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane.

What is the SMILES notation for 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?

The canonical SMILES for 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1CC2.CN1C2CCC1CNC2.CN1C2CCCC1CC2.CN1C2CCCC1CC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCC1C2.CN1CC2CCCC2C1.

What is the InChIKey of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?

The InChIKey is ASPZABDBGPAZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H15N.2C7H14N2.3C7H13N/c1-9-5-7-3-2-4-8(7)6-9;2*1-9-7-3-2-4-8(9)6-5-7;1-9-4-6-2-3-7(5-9)8-6;1-9-6-2-3-7(9)5-8-4-6;2*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h3*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;3*6-7H,2-5H2,1H3.

What are the key properties of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane?

2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 961.61 g/mol, XLogP of 8.16, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;bis(2-methyl-2-azabicyclo[2.2.1]heptane);7-methyl-7-azabicyclo[2.2.1]heptane;bis(8-methyl-8-azabicyclo[3.2.1]octane);3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 157217853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).