1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane)

C50H94N10 — CID 157063492

About 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane)

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane) (PubChem CID 157063492) has the molecular formula C50H94N10 and a molecular weight of 835.37 g/mol. Its IUPAC name is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane).

Molecular Properties

• Compound Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane)
• PubChem CID: 157063492
• Molecular Formula: C50H94N10
• Molecular Weight: 835.37 g/mol
• Exact Mass: 834.77
• IUPAC Name: 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane)
• SMILES: C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1N2.C1CC2CNCC1N2.C1CC2CNCC1N2.C1CC2CNCC2C1.C1C[C@@H]2C[C@H]1CN2.C1C[C@@H]2C[C@H]1CN2
• InChI: InChI=1S/2C7H13N.2C6H12N2.4C6H11N/c1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;2*1-2-6-4-7-3-5(1)8-6;3*1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6/h2*6-8H,1-5H2;2*5-8H,1-4H2;4*5-7H,1-4H2/t;;;;2*5-,6+;;/m....00../s1
• InChIKey: ABPGJRHBFQBYPS-QSUSELFQSA-N
• XLogP: 4.89
• TPSA: 120.30 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.37
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane) (CID 157063492) is 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane).

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

The canonical SMILES for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane) is C1CC2CC1CN2.C1CC2CCC(C1)N2.C1CC2CCC1N2.C1CC2CNCC1N2.C1CC2CNCC1N2.C1CC2CNCC2C1.C1C[C@@H]2C[C@H]1CN2.C1C[C@@H]2C[C@H]1CN2.

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

The InChIKey is ABPGJRHBFQBYPS-QSUSELFQSA-N. The full InChI is InChI=1S/2C7H13N.2C6H12N2.4C6H11N/c1-2-6-4-8-5-7(6)3-1;1-2-6-4-5-7(3-1)8-6;2*1-2-6-4-7-3-5(1)8-6;3*1-2-6-3-5(1)4-7-6;1-2-6-4-3-5(1)7-6/h2*6-8H,1-5H2;2*5-8H,1-4H2;4*5-7H,1-4H2/t;;;;2*5-,6+;;/m....00../s1.

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

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane) has a molecular weight of 835.37 g/mol, XLogP of 4.89, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;bis((1R,4S)-2-azabicyclo[2.2.1]heptane);2-azabicyclo[2.2.1]heptane;7-azabicyclo[2.2.1]heptane;8-azabicyclo[3.2.1]octane;bis(3,8-diazabicyclo[3.2.1]octane) is sourced from PubChem (CID 157063492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).