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

C15H19N3 — CID 115231231

IUPAC3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
SMILESCc1[nH]c2ccccc2c1CCN(C)CCC#N
InChIInChI=1S/C15H19N3/c1-12-13(8-11-18(2)10-5-9-16)14-6-3-4-7-15(14)17-12/h3-4,6-7,17H,5,8,10-11H2,1-2H3
InChIKeyYOIGZVYIXGNWJI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.86
Rot. Bonds5

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

3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile (PubChem CID 115231231) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
PubChem CID115231231
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile
SMILESCc1[nH]c2ccccc2c1CCN(C)CCC#N
InChIInChI=1S/C15H19N3/c1-12-13(8-11-18(2)10-5-9-16)14-6-3-4-7-15(14)17-12/h3-4,6-7,17H,5,8,10-11H2,1-2H3
InChIKeyYOIGZVYIXGNWJI-UHFFFAOYSA-N
XLogP2.86
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butanenitrile
CID 115232046
2-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanethiol
CID 115224373
methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]cyanamide
CID 117043501
4-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]butan-1-ol
CID 115217891
3-[2-(2-methyl-1H-indol-3-yl)ethylamino]propanenitrile
CID 115231100
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
3-amino-1-methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 115193047
2-[ethyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]ethanol
CID 12575442
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
N-(chloromethyl)-N-methyl-1-(2-methyl-1H-indol-3-yl)methanamine
CID 115263193
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile (CID 115231231) is 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile is Cc1[nH]c2ccccc2c1CCN(C)CCC#N.
What is the InChIKey of 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile?
The InChIKey is YOIGZVYIXGNWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12-13(8-11-18(2)10-5-9-16)14-6-3-4-7-15(14)17-12/h3-4,6-7,17H,5,8,10-11H2,1-2H3.
What are the key properties of 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile?
3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile has a molecular weight of 241.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2-methyl-1H-indol-3-yl)ethyl]amino]propanenitrile is sourced from PubChem (CID 115231231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).