2-(1H-indol-3-yl)ethylazanium

C10H13N2+ — CID 3985862

IUPAC2-(1H-indol-3-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
InChIKeyAPJYDQYYACXCRM-UHFFFAOYSA-O
MW161.23 g/mol
LogP0.95
Rot. Bonds2

About 2-(1H-indol-3-yl)ethylazanium

2-(1H-indol-3-yl)ethylazanium (PubChem CID 3985862) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethylazanium.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethylazanium
PubChem CID3985862
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name2-(1H-indol-3-yl)ethylazanium
SMILES[NH3+]CCc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
InChIKeyAPJYDQYYACXCRM-UHFFFAOYSA-O
XLogP0.95
TPSA43.43 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2-(1H-indol-3-yl)ethylazanium 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-(1H-indol-3-yl)ethylazanium?
The IUPAC name of 2-(1H-indol-3-yl)ethylazanium (CID 3985862) is 2-(1H-indol-3-yl)ethylazanium.
What is the SMILES notation for 2-(1H-indol-3-yl)ethylazanium?
The canonical SMILES for 2-(1H-indol-3-yl)ethylazanium is [NH3+]CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethylazanium?
The InChIKey is APJYDQYYACXCRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1.
What are the key properties of 2-(1H-indol-3-yl)ethylazanium?
2-(1H-indol-3-yl)ethylazanium has a molecular weight of 161.23 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethylazanium is sourced from PubChem (CID 3985862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).