ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine

C164H356N18 — CID 159732755

About ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine

ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159732755) has the molecular formula C164H356N18 and a molecular weight of 2580.78 g/mol. Its IUPAC name is ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

• Compound Name: ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
• PubChem CID: 159732755
• Molecular Formula: C164H356N18
• Molecular Weight: 2580.78 g/mol
• Exact Mass: 2578.84
• IUPAC Name: ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C2CCCC1C2.CC1CCCC1.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2CCC1C2.CN1CC2CCC2C1.CN1CC2CCC2C1.CN1CC2CNC2C1.CN1CC2CNCC2C1.CN1CCC2(CC1)CC2.CN1CCC2(CCCCC2)CC1.CN1CCC2CC2C1.CN1CCC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
• InChI: InChI=1S/C11H21N.C9H17N.C8H15N.C8H14.C7H14N2.7C7H13N.C7H15N.C6H12N2.2C6H13N.C6H12.C5H11N.18C2H6/c1-12-9-7-11(8-10-12)5-3-2-4-6-11;1-10-6-5-8-3-2-4-9(8)7-10;1-9-6-4-8(2-3-8)5-7-9;1-6-7-3-2-4-8(6)5-7;1-9-4-6-2-8-3-7(6)5-9;1-8-3-2-6-4-7(6)5-8;2*1-8-4-6-2-3-7(6)5-8;1-8-5-6-2-3-7(8)4-6;3*1-8-5-7(6-8)3-2-4-7;1-8-6-4-2-3-5-7-8;1-8-3-5-2-7-6(5)4-8;2*1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;18*1-2/h2-10H2,1H3;8-9H,2-7H2,1H3;2-7H2,1H3;6-8H,2-5H2,1H3;6-8H,2-5H2,1H3;4*6-7H,2-5H2,1H3;3*2-6H2,1H3;2-7H2,1H3;5-7H,2-4H2,1H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;18*1-2H3
• InChIKey: NBLDSLPUIYESJA-UHFFFAOYSA-N
• XLogP: 39.98
• TPSA: 75.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2580.78
LogP ≤ 5	39.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

The IUPAC name of ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine (CID 159732755) is ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine.

What is the SMILES notation for ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

The canonical SMILES for ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C2CCCC1C2.CC1CCCC1.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2CCC1C2.CN1CC2CCC2C1.CN1CC2CCC2C1.CN1CC2CNC2C1.CN1CC2CNCC2C1.CN1CCC2(CC1)CC2.CN1CCC2(CCCCC2)CC1.CN1CCC2CC2C1.CN1CCC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.

What is the InChIKey of ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

The InChIKey is NBLDSLPUIYESJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C9H17N.C8H15N.C8H14.C7H14N2.7C7H13N.C7H15N.C6H12N2.2C6H13N.C6H12.C5H11N.18C2H6/c1-12-9-7-11(8-10-12)5-3-2-4-6-11;1-10-6-5-8-3-2-4-9(8)7-10;1-9-6-4-8(2-3-8)5-7-9;1-6-7-3-2-4-8(6)5-7;1-9-4-6-2-8-3-7(6)5-9;1-8-3-2-6-4-7(6)5-8;2*1-8-4-6-2-3-7(6)5-8;1-8-5-6-2-3-7(8)4-6;3*1-8-5-7(6-8)3-2-4-7;1-8-6-4-2-3-5-7-8;1-8-3-5-2-7-6(5)4-8;2*1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;18*1-2/h2-10H2,1H3;8-9H,2-7H2,1H3;2-7H2,1H3;6-8H,2-5H2,1H3;6-8H,2-5H2,1H3;4*6-7H,2-5H2,1H3;3*2-6H2,1H3;2-7H2,1H3;5-7H,2-4H2,1H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;18*1-2H3.

What are the key properties of ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 2580.78 g/mol, XLogP of 39.98, 0 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;2-methyl-2-azabicyclo[2.2.1]heptane;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;6-methylbicyclo[3.1.1]heptane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159732755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).