1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid

C15H20N2O2 — CID 83963664

IUPAC1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
SMILESCCc1c(C)n(CCCN)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H20N2O2/c1-3-11-10(2)17(9-5-8-16)14-12(11)6-4-7-13(14)15(18)19/h4,6-7H,3,5,8-9,16H2,1-2H3,(H,18,19)
InChIKeyLDZXOUUEQIXXMX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.56
Rot. Bonds5

About 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid

1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid (PubChem CID 83963664) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
PubChem CID83963664
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
SMILESCCc1c(C)n(CCCN)c2c(C(=O)O)cccc12
InChIInChI=1S/C15H20N2O2/c1-3-11-10(2)17(9-5-8-16)14-12(11)6-4-7-13(14)15(18)19/h4,6-7H,3,5,8-9,16H2,1-2H3,(H,18,19)
InChIKeyLDZXOUUEQIXXMX-UHFFFAOYSA-N
XLogP2.56
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid 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

1-(3-aminopropyl)-3-butyl-2-methylindole-7-carboxylic acid
CID 83963670
1-butyl-2,3-dimethylindole-7-carboxylic acid
CID 83963647
1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid
CID 83964262
1-(2-aminoethyl)-3-(1-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83963675
1-(3-aminopropyl)-3-butyl-2,6-dimethylindole-7-carboxylic acid
CID 83964774
1-(3-aminopropyl)-5-tert-butyl-2-methyl-3-propylindole-7-carboxylic acid
CID 83963762
1-(3-aminopropyl)-3-butyl-2-methyl-5-propan-2-ylindole-7-carboxylic acid
CID 83964669
1,2-dimethyl-3-propylindole-7-carboxylic acid
CID 83963608
1-butyl-3-ethyl-2,6-dimethylindole-7-carboxylic acid
CID 83964747
3-(2-aminoethyl)-2-methyl-1-propan-2-ylindole-7-carboxylic acid
CID 83963643
1-(3-aminopropyl)-2-methyl-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 83947165
1-(3-aminopropyl)-2-methyl-3-propan-2-ylindole-4-carboxylic acid
CID 83964053

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid?
The IUPAC name of 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid (CID 83963664) is 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid?
The canonical SMILES for 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid is CCc1c(C)n(CCCN)c2c(C(=O)O)cccc12.
What is the InChIKey of 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid?
The InChIKey is LDZXOUUEQIXXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-11-10(2)17(9-5-8-16)14-12(11)6-4-7-13(14)15(18)19/h4,6-7H,3,5,8-9,16H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid?
1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid is sourced from PubChem (CID 83963664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).