1,4-dimethyl-2H-indol-1-ium;ethane

C14H24N+ — CID 90707503

IUPAC1,4-dimethyl-2H-indol-1-ium;ethane
SMILESCC.CC.Cc1cccc2c1=CC[N+]=2C
InChIInChI=1S/C10H12N.2C2H6/c1-8-4-3-5-10-9(8)6-7-11(10)2;2*1-2/h3-6H,7H2,1-2H3;2*1-2H3/q+1;;
InChIKeyUCAQXLAONUFGSB-UHFFFAOYSA-N
MW206.35 g/mol
LogP1.96
Rot. Bonds

About 1,4-dimethyl-2H-indol-1-ium;ethane

1,4-dimethyl-2H-indol-1-ium;ethane (PubChem CID 90707503) has the molecular formula C14H24N+ and a molecular weight of 206.35 g/mol. Its IUPAC name is 1,4-dimethyl-2H-indol-1-ium;ethane.

Molecular Properties

Compound Name1,4-dimethyl-2H-indol-1-ium;ethane
PubChem CID90707503
Molecular FormulaC14H24N+
Molecular Weight206.35 g/mol
Exact Mass206.19
IUPAC Name1,4-dimethyl-2H-indol-1-ium;ethane
SMILESCC.CC.Cc1cccc2c1=CC[N+]=2C
InChIInChI=1S/C10H12N.2C2H6/c1-8-4-3-5-10-9(8)6-7-11(10)2;2*1-2/h3-6H,7H2,1-2H3;2*1-2H3/q+1;;
InChIKeyUCAQXLAONUFGSB-UHFFFAOYSA-N
XLogP1.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,4-dimethyl-2H-indol-1-ium;ethane 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

8aH-carbazole
CID 9548747
2H-Indole
CID 19013146
2-Methylindol-2-ylium
CID 57054412
2-methyl-2H-indole
CID 58371059
5-fluoro-2-methyl-2H-indole
CID 173150045
2-ethyl-5-fluoro-2H-indole
CID 175232011
2h-Cyclopenta[cd]indole
CID 135121977
5-fluoro-3-methyl-2H-indole
CID 95046937
Oopcllihquxqnn-uhfffaoysa-
CID 606713
7-methyl-2H-indole
CID 13640031
6,7-dihydro-2H-cyclopenta[b]pyridine
CID 19100511
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2H-indol-1-ium;ethane?
The IUPAC name of 1,4-dimethyl-2H-indol-1-ium;ethane (CID 90707503) is 1,4-dimethyl-2H-indol-1-ium;ethane.
What is the SMILES notation for 1,4-dimethyl-2H-indol-1-ium;ethane?
The canonical SMILES for 1,4-dimethyl-2H-indol-1-ium;ethane is CC.CC.Cc1cccc2c1=CC[N+]=2C.
What is the InChIKey of 1,4-dimethyl-2H-indol-1-ium;ethane?
The InChIKey is UCAQXLAONUFGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N.2C2H6/c1-8-4-3-5-10-9(8)6-7-11(10)2;2*1-2/h3-6H,7H2,1-2H3;2*1-2H3/q+1;;.
What are the key properties of 1,4-dimethyl-2H-indol-1-ium;ethane?
1,4-dimethyl-2H-indol-1-ium;ethane has a molecular weight of 206.35 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2H-indol-1-ium;ethane is sourced from PubChem (CID 90707503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).