3-[3-(2-aminoethyl)indol-1-yl]propanamide

C13H17N3O — CID 55164863

IUPAC3-[3-(2-aminoethyl)indol-1-yl]propanamide
SMILESNCCc1cn(CCC(N)=O)c2ccccc12
InChIInChI=1S/C13H17N3O/c14-7-5-10-9-16(8-6-13(15)17)12-4-2-1-3-11(10)12/h1-4,9H,5-8,14H2,(H2,15,17)
InChIKeyXDZASLUVDSSNNE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.02
Rot. Bonds5

About 3-[3-(2-aminoethyl)indol-1-yl]propanamide

3-[3-(2-aminoethyl)indol-1-yl]propanamide (PubChem CID 55164863) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)indol-1-yl]propanamide
PubChem CID55164863
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[3-(2-aminoethyl)indol-1-yl]propanamide
SMILESNCCc1cn(CCC(N)=O)c2ccccc12
InChIInChI=1S/C13H17N3O/c14-7-5-10-9-16(8-6-13(15)17)12-4-2-1-3-11(10)12/h1-4,9H,5-8,14H2,(H2,15,17)
InChIKeyXDZASLUVDSSNNE-UHFFFAOYSA-N
XLogP1.02
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
3-[3-(2-aminoethyl)-5-dibenzofuran-4-ylindol-1-yl]propanamide
CID 70052793
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
2-(1-chloroindol-3-yl)ethanamine
CID 22722065
4-(1-methylindol-3-yl)butanamide
CID 175206986
2-[1-(3-methylsulfanylpropyl)indol-3-yl]ethanamine
CID 113474367
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
CID 63156515
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]indol-3-yl]ethanamine
CID 103015036
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539
3-(2-aminoethyl)indole-1-carboxylic acid
CID 69396073
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-3-yl]ethanamine
CID 112591716

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)indol-1-yl]propanamide?
The IUPAC name of 3-[3-(2-aminoethyl)indol-1-yl]propanamide (CID 55164863) is 3-[3-(2-aminoethyl)indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-(2-aminoethyl)indol-1-yl]propanamide?
The canonical SMILES for 3-[3-(2-aminoethyl)indol-1-yl]propanamide is NCCc1cn(CCC(N)=O)c2ccccc12.
What is the InChIKey of 3-[3-(2-aminoethyl)indol-1-yl]propanamide?
The InChIKey is XDZASLUVDSSNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-5-10-9-16(8-6-13(15)17)12-4-2-1-3-11(10)12/h1-4,9H,5-8,14H2,(H2,15,17).
What are the key properties of 3-[3-(2-aminoethyl)indol-1-yl]propanamide?
3-[3-(2-aminoethyl)indol-1-yl]propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)indol-1-yl]propanamide is sourced from PubChem (CID 55164863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).