1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid

C17H24N2O2 — CID 83945644

IUPAC1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid
SMILESCCc1cn(CCN)c2c(C(C)(C)C)cc(C(=O)O)cc12
InChIInChI=1S/C17H24N2O2/c1-5-11-10-19(7-6-18)15-13(11)8-12(16(20)21)9-14(15)17(2,3)4/h8-10H,5-7,18H2,1-4H3,(H,20,21)
InChIKeyPXKRCOSBOBHMAM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid

1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid (PubChem CID 83945644) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid
PubChem CID83945644
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid
SMILESCCc1cn(CCN)c2c(C(C)(C)C)cc(C(=O)O)cc12
InChIInChI=1S/C17H24N2O2/c1-5-11-10-19(7-6-18)15-13(11)8-12(16(20)21)9-14(15)17(2,3)4/h8-10H,5-7,18H2,1-4H3,(H,20,21)
InChIKeyPXKRCOSBOBHMAM-UHFFFAOYSA-N
XLogP3.16
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-tert-butyl-3-ethyl-1-propylindole-5-carboxylic acid
CID 83945594
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
3-(2-aminoethyl)-7-tert-butyl-1-ethylindole-5-carboxylic acid
CID 83945572
1,3-dibutyl-7-tert-butylindole-5-carboxylic acid
CID 83945621
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
7-tert-butyl-1-ethyl-3-methylindole-5-carboxylic acid
CID 83945566
1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
1-(2-aminoethyl)-7-tert-butylindole-5-carboxylic acid
CID 83945646
3-(2-aminoethyl)-7-ethyl-1-(2-hydroxyethyl)indole-5-carboxylic acid
CID 83945854
3,7-diethyl-1-(3-hydroxypropyl)indole-5-carboxylic acid
CID 83945897
1,3-bis(2-aminoethyl)-7-tert-butyl-2-methylindole-5-carboxylic acid
CID 83963865
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid (CID 83945644) is 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid is CCc1cn(CCN)c2c(C(C)(C)C)cc(C(=O)O)cc12.
What is the InChIKey of 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid?
The InChIKey is PXKRCOSBOBHMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-11-10-19(7-6-18)15-13(11)8-12(16(20)21)9-14(15)17(2,3)4/h8-10H,5-7,18H2,1-4H3,(H,20,21).
What are the key properties of 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid?
1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid is sourced from PubChem (CID 83945644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).