3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid

C15H20N2O2 — CID 83964390

IUPAC3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid
SMILESCCn1c(C)c(CCN)c2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C15H20N2O2/c1-4-17-10(3)11(5-6-16)12-7-9(2)8-13(14(12)17)15(18)19/h7-8H,4-6,16H2,1-3H3,(H,18,19)
InChIKeyTXUJMPYUYDIWSU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds4

About 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid

3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid (PubChem CID 83964390) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid
PubChem CID83964390
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid
SMILESCCn1c(C)c(CCN)c2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C15H20N2O2/c1-4-17-10(3)11(5-6-16)12-7-9(2)8-13(14(12)17)15(18)19/h7-8H,4-6,16H2,1-3H3,(H,18,19)
InChIKeyTXUJMPYUYDIWSU-UHFFFAOYSA-N
XLogP2.48
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-formyl-2,5-dimethylindole-7-carboxylic acid
CID 83947250
1-ethyl-3-(1-hydroxyethyl)-2,5-dimethylindole-7-carboxylic acid
CID 83964382
3-(3-aminopropyl)-1-ethyl-2,7-dimethylindole-5-carboxylic acid
CID 83964290
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
CID 83946029
1-(3-aminopropyl)-5-tert-butyl-2-methyl-3-propylindole-7-carboxylic acid
CID 83963762
2,3,5-trimethyl-1-propylindole-7-carboxylic acid
CID 83964415
1-(3-aminopropyl)-3-butyl-2-methyl-5-propan-2-ylindole-7-carboxylic acid
CID 83964669
1,3-diethyl-5-methylindole-7-carboxylic acid
CID 83946021
1-(3-aminopropyl)-3-(1-hydroxyethyl)-2,5-dimethylindole-7-carboxylic acid
CID 83964464
3-butyl-5-ethyl-1-(2-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83964499
1-butyl-5-ethyl-3-(3-hydroxypropyl)-2-methylindole-7-carboxylic acid
CID 83964551
3-formyl-2,5-dimethyl-1-propylindole-7-carboxylic acid
CID 83947261

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid?
The IUPAC name of 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid (CID 83964390) is 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid?
The canonical SMILES for 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid is CCn1c(C)c(CCN)c2cc(C)cc(C(=O)O)c21.
What is the InChIKey of 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid?
The InChIKey is TXUJMPYUYDIWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17-10(3)11(5-6-16)12-7-9(2)8-13(14(12)17)15(18)19/h7-8H,4-6,16H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid?
3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid is sourced from PubChem (CID 83964390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).