3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile

C14H17N3 — CID 115231100

IUPAC3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
SMILESCc1[nH]c2ccccc2c1CCNCCC#N
InChIInChI=1S/C14H17N3/c1-11-12(7-10-16-9-4-8-15)13-5-2-3-6-14(13)17-11/h2-3,5-6,16-17H,4,7,9-10H2,1H3
InChIKeyXGLFRNNVKQPQIP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.52
Rot. Bonds5

About 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile

3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile (PubChem CID 115231100) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
PubChem CID115231100
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
SMILESCc1[nH]c2ccccc2c1CCNCCC#N
InChIInChI=1S/C14H17N3/c1-11-12(7-10-16-9-4-8-15)13-5-2-3-6-14(13)17-11/h2-3,5-6,16-17H,4,7,9-10H2,1H3
InChIKeyXGLFRNNVKQPQIP-UHFFFAOYSA-N
XLogP2.52
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(chloromethyl)-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 115263355
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
CID 115231231
2-(4-chlorophenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]ethanamine
CID 12758180
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butanenitrile
CID 115232046
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
N-methoxy-2-(2-methyl-1H-indol-3-yl)ethanamine
CID 134536528
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
2-(2-methyl-1H-indol-3-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 2049800
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile?
The IUPAC name of 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile (CID 115231100) is 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile.
What is the SMILES notation for 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile?
The canonical SMILES for 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile is Cc1[nH]c2ccccc2c1CCNCCC#N.
What is the InChIKey of 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile?
The InChIKey is XGLFRNNVKQPQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-12(7-10-16-9-4-8-15)13-5-2-3-6-14(13)17-11/h2-3,5-6,16-17H,4,7,9-10H2,1H3.
What are the key properties of 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile?
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile has a molecular weight of 227.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile is sourced from PubChem (CID 115231100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).