1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid

C15H21N3O2 — CID 83945927

IUPAC1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN)cn(CCN)c12
InChIInChI=1S/C15H21N3O2/c1-2-10-7-12(15(19)20)8-13-11(3-4-16)9-18(6-5-17)14(10)13/h7-9H,2-6,16-17H2,1H3,(H,19,20)
InChIKeyFEBSMGXKJBPROK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds6

About 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid

1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid (PubChem CID 83945927) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid.

Molecular Properties

Compound Name1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
PubChem CID83945927
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN)cn(CCN)c12
InChIInChI=1S/C15H21N3O2/c1-2-10-7-12(15(19)20)8-13-11(3-4-16)9-18(6-5-17)14(10)13/h7-9H,2-6,16-17H2,1H3,(H,19,20)
InChIKeyFEBSMGXKJBPROK-UHFFFAOYSA-N
XLogP1.36
TPSA94.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,3-bis(2-aminoethyl)-7-ethylindole-5-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

3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid
CID 83945644
3,7-diethyl-1-(3-hydroxypropyl)indole-5-carboxylic acid
CID 83945897
3-(2-aminoethyl)-7-tert-butyl-1-ethylindole-5-carboxylic acid
CID 83945572
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
CID 83945892
1,3-bis(2-aminoethyl)indole-7-carboxylic acid
CID 83945459
7-tert-butyl-3-ethyl-1-propylindole-5-carboxylic acid
CID 83945594
3-acetyl-1,7-diethylindole-5-carboxylic acid
CID 83947871

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid?
The IUPAC name of 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid (CID 83945927) is 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid.
What is the SMILES notation for 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid?
The canonical SMILES for 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(CCN)cn(CCN)c12.
What is the InChIKey of 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid?
The InChIKey is FEBSMGXKJBPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-10-7-12(15(19)20)8-13-11(3-4-16)9-18(6-5-17)14(10)13/h7-9H,2-6,16-17H2,1H3,(H,19,20).
What are the key properties of 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid?
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid is sourced from PubChem (CID 83945927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).