1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid

C17H24N2O2 — CID 83964262

IUPAC1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid
SMILESCCc1c(C)n(CCCN)c2c(CC)cc(C(=O)O)cc12
InChIInChI=1S/C17H24N2O2/c1-4-12-9-13(17(20)21)10-15-14(5-2)11(3)19(16(12)15)8-6-7-18/h9-10H,4-8,18H2,1-3H3,(H,20,21)
InChIKeyVOOMSODMGPWICF-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.12
Rot. Bonds6

About 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid

1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid (PubChem CID 83964262) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid
PubChem CID83964262
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid
SMILESCCc1c(C)n(CCCN)c2c(CC)cc(C(=O)O)cc12
InChIInChI=1S/C17H24N2O2/c1-4-12-9-13(17(20)21)10-15-14(5-2)11(3)19(16(12)15)8-6-7-18/h9-10H,4-8,18H2,1-3H3,(H,20,21)
InChIKeyVOOMSODMGPWICF-UHFFFAOYSA-N
XLogP3.12
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.12
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)-3,7-diethyl-2-methylindole-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-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
CID 83964261
1-(3-aminopropyl)-7-ethyl-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83964267
3-butyl-7-ethyl-1-(2-hydroxyethyl)-2-methylindole-5-carboxylic acid
CID 83964195
1-(3-aminopropyl)-2-methyl-7-propan-2-yl-3-propylindole-5-carboxylic acid
CID 83964163
1-(3-aminopropyl)-3-ethyl-2-methylindole-7-carboxylic acid
CID 83963664
3-(3-aminopropyl)-1-ethyl-2,7-dimethylindole-5-carboxylic acid
CID 83964290
3-(3-aminopropyl)-7-tert-butyl-1-(2-hydroxyethyl)-2-methylindole-5-carboxylic acid
CID 83963793
1-(3-aminopropyl)-2-methyl-3-propylindole-5-carboxylic acid
CID 83944551
1-(3-aminopropyl)-5-tert-butyl-2-methyl-3-propylindole-7-carboxylic acid
CID 83963762
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
1,3-bis(2-aminoethyl)-7-tert-butyl-2-methylindole-5-carboxylic acid
CID 83963865
1-butyl-3-(3-hydroxypropyl)-2,7-dimethylindole-5-carboxylic acid
CID 83964347

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid?
The IUPAC name of 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid (CID 83964262) is 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid?
The canonical SMILES for 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid is CCc1c(C)n(CCCN)c2c(CC)cc(C(=O)O)cc12.
What is the InChIKey of 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid?
The InChIKey is VOOMSODMGPWICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-12-9-13(17(20)21)10-15-14(5-2)11(3)19(16(12)15)8-6-7-18/h9-10H,4-8,18H2,1-3H3,(H,20,21).
What are the key properties of 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid?
1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3,7-diethyl-2-methylindole-5-carboxylic acid is sourced from PubChem (CID 83964262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).