2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide

C15H21N3O — CID 63156515

IUPAC2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CCN)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-3-17(2)15(19)11-18-10-12(8-9-16)13-6-4-5-7-14(13)18/h4-7,10H,3,8-9,11,16H2,1-2H3
InChIKeyCNYVKUXNODVNEW-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.62
Rot. Bonds5

About 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide

2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 63156515) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
PubChem CID63156515
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CCN)c2ccccc21
InChIInChI=1S/C15H21N3O/c1-3-17(2)15(19)11-18-10-12(8-9-16)13-6-4-5-7-14(13)18/h4-7,10H,3,8-9,11,16H2,1-2H3
InChIKeyCNYVKUXNODVNEW-UHFFFAOYSA-N
XLogP1.62
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
2-[3-[(cyclopropylamino)methyl]indol-1-yl]-N-ethyl-N-methylacetamide
CID 66403280
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
2-[1-[2-(dimethylamino)ethyl]indol-3-yl]ethanamine
CID 10421424
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N,N-diethyl-2-[3-(methylaminomethyl)indol-1-yl]acetamide
CID 66408422
2-[1-(2-ethylbutyl)indol-3-yl]ethanamine
CID 82925282
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
3-[1-(2-methylprop-2-enyl)indol-3-yl]propan-1-amine
CID 79185478
2-[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]ethanamine
CID 107053802
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
2-(1-prop-2-enylindol-3-yl)ethanamine
CID 10375539

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide (CID 63156515) is 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cc(CCN)c2ccccc21.
What is the InChIKey of 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is CNYVKUXNODVNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17(2)15(19)11-18-10-12(8-9-16)13-6-4-5-7-14(13)18/h4-7,10H,3,8-9,11,16H2,1-2H3.
What are the key properties of 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide?
2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethyl)indol-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 63156515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).