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

C56H108N12 — CID 158126394

About 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;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;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 158126394) has the molecular formula C56H108N12 and a molecular weight of 949.56 g/mol. Its IUPAC name is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;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;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
• PubChem CID: 158126394
• Molecular Formula: C56H108N12
• Molecular Weight: 949.56 g/mol
• Exact Mass: 948.88
• IUPAC Name: 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane
• SMILES: CN1C2CCC1CC2.CN1C2CCC1CNC2.CN1C2CCCC1CC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@H]2C[C@@H]1CN2
• InChI: InChI=1S/2C8H15N.2C7H14N2.2C7H13N.2C6H12N2/c1-9-5-7-3-2-4-8(7)6-9;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;1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6;2*1-8-4-5-2-6(8)3-7-5/h2*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2*5-7H,2-4H2,1H3/t;;;;;;2*5-,6-/m......10/s1
• InChIKey: FSFOTXBMGYRDAE-MDDXMKQZSA-N
• XLogP: 4.75
• TPSA: 74.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	949.56
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;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;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 158126394) is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;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;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;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;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane is CN1C2CCC1CC2.CN1C2CCC1CNC2.CN1C2CCCC1CC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2C[C@H]1CN2.CN1C[C@H]2C[C@@H]1CN2.

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

The InChIKey is FSFOTXBMGYRDAE-MDDXMKQZSA-N. The full InChI is InChI=1S/2C8H15N.2C7H14N2.2C7H13N.2C6H12N2/c1-9-5-7-3-2-4-8(7)6-9;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;1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6;2*1-8-4-5-2-6(8)3-7-5/h2*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;2*5-7H,2-4H2,1H3/t;;;;;;2*5-,6-/m......10/s1.

What are the key properties of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;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;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 949.56 g/mol, XLogP of 4.75, 0 rotatable bonds, 4 hydrogen bond donors, and 12 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;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane;(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-methyl-2,5-diazabicyclo[2.2.1]heptane;3-methyl-3,8-diazabicyclo[3.2.1]octane;8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 158126394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).