3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid

C15H20N2O2 — CID 83946029

IUPAC3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
SMILESCCn1cc(CCCN)c2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C15H20N2O2/c1-3-17-9-11(5-4-6-16)12-7-10(2)8-13(14(12)17)15(18)19/h7-9H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyLRKBJPNZEBVBGB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.56
Rot. Bonds5

About 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid

3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid (PubChem CID 83946029) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
PubChem CID83946029
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid
SMILESCCn1cc(CCCN)c2cc(C)cc(C(=O)O)c21
InChIInChI=1S/C15H20N2O2/c1-3-17-9-11(5-4-6-16)12-7-10(2)8-13(14(12)17)15(18)19/h7-9H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyLRKBJPNZEBVBGB-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethyl)-3-(3-aminopropyl)-5-methylindole-7-carboxylic acid
CID 83946116
3-(3-aminopropyl)-1-(2-hydroxyethyl)-5-methylindole-7-carboxylic acid
CID 83946040
1,3-diethyl-5-methylindole-7-carboxylic acid
CID 83946021
3-(2-aminoethyl)-1-ethyl-5-propan-2-ylindole-7-carboxylic acid
CID 83946225
1,3-bis(3-aminopropyl)-5-tert-butylindole-7-carboxylic acid
CID 83945550
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
1-(3-aminopropyl)-3-butyl-5-tert-butylindole-7-carboxylic acid
CID 83945548
3-(2-aminoethyl)-1-ethyl-2,5-dimethylindole-7-carboxylic acid
CID 83964390
methyl 2-[3-(3-aminopropyl)-5,7-dimethylindol-1-yl]acetate
CID 83948562
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
3-(2-aminoethyl)-7-tert-butyl-1-ethylindole-5-carboxylic acid
CID 83945572

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid (CID 83946029) is 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid is CCn1cc(CCCN)c2cc(C)cc(C(=O)O)c21.
What is the InChIKey of 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid?
The InChIKey is LRKBJPNZEBVBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-17-9-11(5-4-6-16)12-7-10(2)8-13(14(12)17)15(18)19/h7-9H,3-6,16H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid?
3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-ethyl-5-methylindole-7-carboxylic acid is sourced from PubChem (CID 83946029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).