2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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

C67H127N11 — CID 157191339

About 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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 157191339) has the molecular formula C67H127N11 and a molecular weight of 1086.83 g/mol. Its IUPAC name is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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: 157191339
• Molecular Formula: C67H127N11
• Molecular Weight: 1086.83 g/mol
• Exact Mass: 1086.03
• IUPAC Name: 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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.CN1C2CCCC1CCC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2.CN1C[C@H]2CC[C@@H]1C2
• InChI: InChI=1S/C9H17N.2C8H15N.2C7H14N2.4C7H13N/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-5-7-3-2-4-8(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;3*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;4*6-7H,2-5H2,1H3/t;;;;;2*6-,7+;;/m.....10../s1
• InChIKey: APSQKDBEAUJFFB-CVGKGSFUSA-N
• XLogP: 9.65
• TPSA: 53.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1086.83
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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 157191339) is 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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.CN1C2CCCC1CCC2.CN1CC2CCC(C1)N2.CN1CC2CCC1C2.CN1CC2CCCC2C1.CN1C[C@@H]2CC[C@H]1C2.CN1C[C@H]2CC[C@@H]1C2.

What is the InChIKey of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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 APSQKDBEAUJFFB-CVGKGSFUSA-N. The full InChI is InChI=1S/C9H17N.2C8H15N.2C7H14N2.4C7H13N/c1-10-8-4-2-5-9(10)7-3-6-8;1-9-5-7-3-2-4-8(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;3*1-8-5-6-2-3-7(8)4-6;1-8-6-2-3-7(8)5-4-6/h8-9H,2-7H2,1H3;2*7-8H,2-6H2,1H3;2*6-8H,2-5H2,1H3;4*6-7H,2-5H2,1H3/t;;;;;2*6-,7+;;/m.....10../s1.

What are the key properties of 2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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 1086.83 g/mol, XLogP of 9.65, 0 rotatable bonds, 2 hydrogen bond donors, and 11 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;(1R,4S)-2-methyl-2-azabicyclo[2.2.1]heptane;(1S,4R)-2-methyl-2-azabicyclo[2.2.1]heptane;2-methyl-2-azabicyclo[2.2.1]heptane;7-methyl-7-azabicyclo[2.2.1]heptane;9-methyl-9-azabicyclo[3.3.1]nonane;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 157191339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).