1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium

C18H22N+ — CID 177074990

IUPAC1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)CC2C
InChIInChI=1S/C18H22N/c1-12-9-13(2)16-11-17(14(3)10-15(12)16)18-7-5-6-8-19(18)4/h5-8,10-13H,9H2,1-4H3/q+1
InChIKeyUZJXILFFFMJGGF-UHFFFAOYSA-N
MW252.38 g/mol
LogP4.10
Rot. Bonds1

About 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium

1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium (PubChem CID 177074990) has the molecular formula C18H22N+ and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
PubChem CID177074990
Molecular FormulaC18H22N+
Molecular Weight252.38 g/mol
Exact Mass252.17
IUPAC Name1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
SMILESCc1cc2c(cc1-c1cccc[n+]1C)C(C)CC2C
InChIInChI=1S/C18H22N/c1-12-9-13(2)16-11-17(14(3)10-15(12)16)18-7-5-6-8-19(18)4/h5-8,10-13H,9H2,1-4H3/q+1
InChIKeyUZJXILFFFMJGGF-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-cyclohexyl-2,4-dimethylphenyl)-1-methylpyridin-1-ium
CID 167365761
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
1-methyl-2-(3,3,6-trimethyl-1,2-dihydroinden-5-yl)pyridin-1-ium
CID 170685494
2-[4-(deuteriomethyl)-2-methyl-5-phenylphenyl]-1-methylpyridin-1-ium
CID 172534733
1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyridin-1-ium
CID 59306168
3-cyclohexyl-8-methyl-7-(1-methylpyridin-1-ium-2-yl)dibenzofuran-2-carbonitrile
CID 154615185
2-(4-isocyano-2-methylphenyl)-1-methylpyridin-1-ium
CID 176621919
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 140889717
2-(1,8-dideuterio-5-methyl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1-methyl-4-phenylpyridin-1-ium
CID 140861421
2-(5-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium (CID 177074990) is 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium is Cc1cc2c(cc1-c1cccc[n+]1C)C(C)CC2C.
What is the InChIKey of 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium?
The InChIKey is UZJXILFFFMJGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N/c1-12-9-13(2)16-11-17(14(3)10-15(12)16)18-7-5-6-8-19(18)4/h5-8,10-13H,9H2,1-4H3/q+1.
What are the key properties of 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium?
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium has a molecular weight of 252.38 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium is sourced from PubChem (CID 177074990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).