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

C15H20N2O2 — CID 83945917

IUPAC1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
SMILESCCc1cn(CCN)c2c(CC)cc(C(=O)O)cc12
InChIInChI=1S/C15H20N2O2/c1-3-10-7-12(15(18)19)8-13-11(4-2)9-17(6-5-16)14(10)13/h7-9H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyNXNROBRCRQKLID-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.42
Rot. Bonds5

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

1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid (PubChem CID 83945917) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
PubChem CID83945917
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
SMILESCCc1cn(CCN)c2c(CC)cc(C(=O)O)cc12
InChIInChI=1S/C15H20N2O2/c1-3-10-7-12(15(18)19)8-13-11(4-2)9-17(6-5-16)14(10)13/h7-9H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyNXNROBRCRQKLID-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
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
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
7-tert-butyl-3-ethyl-1-propylindole-5-carboxylic acid
CID 83945594
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
CID 83945892
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
3-acetyl-1,7-diethylindole-5-carboxylic acid
CID 83947871
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
1-(3-aminopropyl)-7-ethyl-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83964267

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid (CID 83945917) is 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid is CCc1cn(CCN)c2c(CC)cc(C(=O)O)cc12.
What is the InChIKey of 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid?
The InChIKey is NXNROBRCRQKLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-10-7-12(15(18)19)8-13-11(4-2)9-17(6-5-16)14(10)13/h7-9H,3-6,16H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid?
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid is sourced from PubChem (CID 83945917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).