2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine

C71H144N10 — CID 158130281

About 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine

2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine (PubChem CID 158130281) has the molecular formula C71H144N10 and a molecular weight of 1138.00 g/mol. Its IUPAC name is 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine.

Molecular Properties

• Compound Name: 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine
• PubChem CID: 158130281
• Molecular Formula: C71H144N10
• Molecular Weight: 1138.00 g/mol
• Exact Mass: 1137.16
• IUPAC Name: 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine
• SMILES: CC1C2CC1CN(C)C2.CC1C2CN(C)CC12.CC1CC2CN(C)CC2C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.CN1CC(C)(C)C1.CN1CCC(C)(C)C1.CN1CCC(C)(C)CC1.CN1CCC2(C)CC2C1
• InChI: InChI=1S/C9H17N.2C8H15N.C8H17N.C7H13N.2C7H15N.2C6H13N.C5H11N/c1-7-3-8-5-10(2)6-9(8)4-7;1-6-7-3-8(6)5-9(2)4-7;1-8-3-4-9(2)6-7(8)5-8;1-8(2)4-6-9(3)7-5-8;1-5-6-3-8(2)4-7(5)6;1-7(2)4-5-8(3)6-7;1-7-3-5-8(2)6-4-7;1-6(2)4-7(3)5-6;1-6-3-4-7(2)5-6;1-5-3-6(2)4-5/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;4-7H2,1-3H3;5-7H,3-4H2,1-2H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;4-5H2,1-3H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
• InChIKey: FSRNUNXMCPVEFN-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1138.00
LogP ≤ 5	11.88
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;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine?

The IUPAC name of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine (CID 158130281) is 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine.

What is the SMILES notation for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine?

The canonical SMILES for 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine is CC1C2CC1CN(C)C2.CC1C2CN(C)CC12.CC1CC2CN(C)CC2C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CN(C)C1.CN1CC(C)(C)C1.CN1CCC(C)(C)C1.CN1CCC(C)(C)CC1.CN1CCC2(C)CC2C1.

What is the InChIKey of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine?

The InChIKey is FSRNUNXMCPVEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.2C8H15N.C8H17N.C7H13N.2C7H15N.2C6H13N.C5H11N/c1-7-3-8-5-10(2)6-9(8)4-7;1-6-7-3-8(6)5-9(2)4-7;1-8-3-4-9(2)6-7(8)5-8;1-8(2)4-6-9(3)7-5-8;1-5-6-3-8(2)4-7(5)6;1-7(2)4-5-8(3)6-7;1-7-3-5-8(2)6-4-7;1-6(2)4-7(3)5-6;1-6-3-4-7(2)5-6;1-5-3-6(2)4-5/h7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3;4-7H2,1-3H3;5-7H,3-4H2,1-2H3;4-6H2,1-3H3;7H,3-6H2,1-2H3;4-5H2,1-3H3;6H,3-5H2,1-2H3;5H,3-4H2,1-2H3.

What are the key properties of 2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine?

2,5-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine has a molecular weight of 1138.00 g/mol, XLogP of 11.88, 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;3,6-dimethyl-3-azabicyclo[3.1.1]heptane;3,6-dimethyl-3-azabicyclo[4.1.0]heptane;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;1,3-dimethylazetidine;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;1,3,3-trimethylazetidine;1,4,4-trimethylpiperidine;1,3,3-trimethylpyrrolidine is sourced from PubChem (CID 158130281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).