2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium

C15H23N2+ — CID 90422117

IUPAC2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
SMILESCC1=NC2=CC(CC[N+](C)(C)C)C=CC2=C1C
InChIInChI=1S/C15H23N2/c1-11-12(2)16-15-10-13(6-7-14(11)15)8-9-17(3,4)5/h6-7,10,13H,8-9H2,1-5H3/q+1
InChIKeyGJBHVQHDYAPRKK-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium

2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium (PubChem CID 90422117) has the molecular formula C15H23N2+ and a molecular weight of 231.36 g/mol. Its IUPAC name is 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
PubChem CID90422117
Molecular FormulaC15H23N2+
Molecular Weight231.36 g/mol
Exact Mass231.19
IUPAC Name2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium
SMILESCC1=NC2=CC(CC[N+](C)(C)C)C=CC2=C1C
InChIInChI=1S/C15H23N2/c1-11-12(2)16-15-10-13(6-7-14(11)15)8-9-17(3,4)5/h6-7,10,13H,8-9H2,1-5H3/q+1
InChIKeyGJBHVQHDYAPRKK-UHFFFAOYSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium?
The IUPAC name of 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium (CID 90422117) is 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium.
What is the SMILES notation for 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium?
The canonical SMILES for 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium is CC1=NC2=CC(CC[N+](C)(C)C)C=CC2=C1C.
What is the InChIKey of 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium?
The InChIKey is GJBHVQHDYAPRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2/c1-11-12(2)16-15-10-13(6-7-14(11)15)8-9-17(3,4)5/h6-7,10,13H,8-9H2,1-5H3/q+1.
What are the key properties of 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium?
2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium has a molecular weight of 231.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-6H-indol-6-yl)ethyl-trimethylazanium is sourced from PubChem (CID 90422117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).