ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine

C165H358N18 — CID 159090474

About ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine

ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159090474) has the molecular formula C165H358N18 and a molecular weight of 2594.80 g/mol. Its IUPAC name is ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

• Compound Name: ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine
• PubChem CID: 159090474
• Molecular Formula: C165H358N18
• Molecular Weight: 2594.80 g/mol
• Exact Mass: 2592.86
• IUPAC Name: ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;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.CC1CCCC1.CN1C2CCCC1C2.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2CCC1CC2.CN1CC2CCC2C1.CN1CC2CCC2C1.CN1CC2CCCC2C1.CN1CC2CNC2C1.CN1CCC2(CC1)CC2.CN1CCC2(CCCCC2)CC1.CN1CCC2CC2C1.CN1CCC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1
• InChI: InChI=1S/C11H21N.C9H17N.3C8H15N.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;1-9-6-7-2-4-8(9)5-3-7;1-9-6-4-8(2-3-8)5-7-9;1-9-5-7-3-2-4-8(7)6-9;1-8-3-2-6-4-7(6)5-8;2*1-8-4-6-2-3-7(6)5-8;3*1-8-5-7(6-8)3-2-4-7;1-8-6-3-2-4-7(8)5-6;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;7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3;3*2-6H2,1H3;6-7H,2-5H2,1H3;2-7H2,1H3;5-7H,2-4H2,1H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;18*1-2H3
• InChIKey: KBZPRYJZELFPGO-UHFFFAOYSA-N
• XLogP: 40.75
• TPSA: 67.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2594.80
LogP ≤ 5	40.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

The IUPAC name of ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine (CID 159090474) is ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine.

What is the SMILES notation for ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

The canonical SMILES for ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;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.CC1CCCC1.CN1C2CCCC1C2.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2(CCC2)C1.CN1CC2CCC1CC2.CN1CC2CCC2C1.CN1CC2CCC2C1.CN1CC2CCCC2C1.CN1CC2CNC2C1.CN1CCC2(CC1)CC2.CN1CCC2(CCCCC2)CC1.CN1CCC2CC2C1.CN1CCC2CCCC2C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCCC1.

What is the InChIKey of ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

The InChIKey is KBZPRYJZELFPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C9H17N.3C8H15N.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;1-9-6-7-2-4-8(9)5-3-7;1-9-6-4-8(2-3-8)5-7-9;1-9-5-7-3-2-4-8(7)6-9;1-8-3-2-6-4-7(6)5-8;2*1-8-4-6-2-3-7(6)5-8;3*1-8-5-7(6-8)3-2-4-7;1-8-6-3-2-4-7(8)5-6;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;7-8H,2-6H2,1H3;2-7H2,1H3;7-8H,2-6H2,1H3;3*6-7H,2-5H2,1H3;3*2-6H2,1H3;6-7H,2-5H2,1H3;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;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine?

ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 2594.80 g/mol, XLogP of 40.75, 0 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;2-methyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine;bis(3-methyl-3-azabicyclo[3.2.0]heptane);3-methyl-3-azabicyclo[4.1.0]heptane;6-methyl-6-azabicyclo[3.1.1]heptane;2-methyl-2-azabicyclo[2.2.2]octane;tris(2-methyl-2-azaspiro[3.3]heptane);6-methyl-6-azaspiro[2.5]octane;3-methyl-3-azaspiro[5.5]undecane;1-methylazepane;methylcyclopentane;3-methyl-3,6-diazabicyclo[3.2.0]heptane;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159090474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).