2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium

C18H22N+ — CID 170685276

IUPAC2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
SMILESCc1ccccc1-c1cc2c(c[n+]1C)CC(C)(C)C2
InChIInChI=1S/C18H22N/c1-13-7-5-6-8-16(13)17-9-14-10-18(2,3)11-15(14)12-19(17)4/h5-9,12H,10-11H2,1-4H3/q+1
InChIKeyLPXWZGDKBQHDMB-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.61
Rot. Bonds1

About 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium

2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium (PubChem CID 170685276) has the molecular formula C18H22N+ and a molecular weight of 252.38 g/mol. Its IUPAC name is 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium.

Molecular Properties

Compound Name2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
PubChem CID170685276
Molecular FormulaC18H22N+
Molecular Weight252.38 g/mol
Exact Mass252.17
IUPAC Name2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
SMILESCc1ccccc1-c1cc2c(c[n+]1C)CC(C)(C)C2
InChIInChI=1S/C18H22N/c1-13-7-5-6-8-16(13)17-9-14-10-18(2,3)11-15(14)12-19(17)4/h5-9,12H,10-11H2,1-4H3/q+1
InChIKeyLPXWZGDKBQHDMB-UHFFFAOYSA-N
XLogP3.61
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-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 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium?
The IUPAC name of 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium (CID 170685276) is 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium.
What is the SMILES notation for 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium?
The canonical SMILES for 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium is Cc1ccccc1-c1cc2c(c[n+]1C)CC(C)(C)C2.
What is the InChIKey of 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium?
The InChIKey is LPXWZGDKBQHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N/c1-13-7-5-6-8-16(13)17-9-14-10-18(2,3)11-15(14)12-19(17)4/h5-9,12H,10-11H2,1-4H3/q+1.
What are the key properties of 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium?
2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium has a molecular weight of 252.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium is sourced from PubChem (CID 170685276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).