2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium

C15H26N+ — CID 3098406

IUPAC2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium
SMILESCCC1CC2(C)C3=C(CCC3)CC[N+]2(C)C1
InChIInChI=1S/C15H26N/c1-4-12-10-15(2)14-7-5-6-13(14)8-9-16(15,3)11-12/h12H,4-11H2,1-3H3/q+1
InChIKeyYOCUVURHTLTTOB-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.51
Rot. Bonds1

About 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium

2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium (PubChem CID 3098406) has the molecular formula C15H26N+ and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium.

Molecular Properties

Compound Name2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium
PubChem CID3098406
Molecular FormulaC15H26N+
Molecular Weight220.38 g/mol
Exact Mass220.21
IUPAC Name2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium
SMILESCCC1CC2(C)C3=C(CCC3)CC[N+]2(C)C1
InChIInChI=1S/C15H26N/c1-4-12-10-15(2)14-7-5-6-13(14)8-9-16(15,3)11-12/h12H,4-11H2,1-3H3/q+1
InChIKeyYOCUVURHTLTTOB-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium?
The IUPAC name of 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium (CID 3098406) is 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium.
What is the SMILES notation for 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium?
The canonical SMILES for 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium is CCC1CC2(C)C3=C(CCC3)CC[N+]2(C)C1.
What is the InChIKey of 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium?
The InChIKey is YOCUVURHTLTTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N/c1-4-12-10-15(2)14-7-5-6-13(14)8-9-16(15,3)11-12/h12H,4-11H2,1-3H3/q+1.
What are the key properties of 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium?
2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium has a molecular weight of 220.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,9b-dimethyl-1,2,3,5,6,7,8,9-octahydrocyclopenta[g]indolizin-4-ium is sourced from PubChem (CID 3098406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).