2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine

C87H168N10 — CID 158295718

About 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine

2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine (PubChem CID 158295718) has the molecular formula C87H168N10 and a molecular weight of 1354.37 g/mol. Its IUPAC name is 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine.

Molecular Properties

• Compound Name: 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine
• PubChem CID: 158295718
• Molecular Formula: C87H168N10
• Molecular Weight: 1354.37 g/mol
• Exact Mass: 1353.35
• IUPAC Name: 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine
• SMILES: CC1CC2(C1)CN(C)C2.CC1CC2(CCN(C)C2)C1.CC1CC2CC(C1)N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.CC1CC2CCCC(C1)N2C.CC1CC2CN(C)CC2C1.CC1CCC2(C1)CN(C)C2.CC1CCCN(C)CC1.CC1CCN(C)CC1
• InChI: InChI=1S/C10H19N.6C9H17N.C8H15N.C8H17N.C7H15N/c1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-5-10(2)6-9(8)4-7;1-7-3-8-5-9(4-7)10(2)6-8;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(5-8)6-10(2)7-9;1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2;1-7-3-8(4-7)5-9(2)6-8;1-8-4-3-6-9(2)7-5-8;1-7-3-5-8(2)6-4-7/h8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
• InChIKey: GLWPEZSUUXQGKI-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1354.37
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?

The IUPAC name of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine (CID 158295718) is 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine.

What is the SMILES notation for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?

The canonical SMILES for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine is CC1CC2(C1)CN(C)C2.CC1CC2(CCN(C)C2)C1.CC1CC2CC(C1)N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC1CN2C.CC1CC2CCCC(C1)N2C.CC1CC2CN(C)CC2C1.CC1CCC2(C1)CN(C)C2.CC1CCCN(C)CC1.CC1CCN(C)CC1.

What is the InChIKey of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?

The InChIKey is GLWPEZSUUXQGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.6C9H17N.C8H15N.C8H17N.C7H15N/c1-8-6-9-4-3-5-10(7-8)11(9)2;1-7-3-8-5-10(2)6-9(8)4-7;1-7-3-8-5-9(4-7)10(2)6-8;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(5-8)6-10(2)7-9;1-7-5-9-4-3-8(7)6-10(9)2;1-7-5-8-3-4-9(6-7)10(8)2;1-7-3-8(4-7)5-9(2)6-8;1-8-4-3-6-9(2)7-5-8;1-7-3-5-8(2)6-4-7/h8-10H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;2*8H,3-7H2,1-2H3;2*7-9H,3-6H2,1-2H3;7H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.

What are the key properties of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine?

2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine has a molecular weight of 1354.37 g/mol, XLogP of 17.13, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,9-dimethyl-9-azabicyclo[3.3.1]nonane;2,5-dimethyl-2-azabicyclo[2.2.2]octane;3,6-dimethyl-6-azabicyclo[3.2.1]octane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,6-dimethyl-2-azaspiro[3.4]octane;2,6-dimethyl-6-azaspiro[3.4]octane;1,4-dimethylazepane;1,4-dimethylpiperidine is sourced from PubChem (CID 158295718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).