3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile

C14H17N3 — CID 115231099

IUPAC3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
SMILESCn1cc(CCNCCC#N)c2ccccc21
InChIInChI=1S/C14H17N3/c1-17-11-12(7-10-16-9-4-8-15)13-5-2-3-6-14(13)17/h2-3,5-6,11,16H,4,7,9-10H2,1H3
InChIKeyJMALWLHJBZHRDK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.22
Rot. Bonds5

About 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile

3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile (PubChem CID 115231099) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
PubChem CID115231099
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
SMILESCn1cc(CCNCCC#N)c2ccccc21
InChIInChI=1S/C14H17N3/c1-17-11-12(7-10-16-9-4-8-15)13-5-2-3-6-14(13)17/h2-3,5-6,11,16H,4,7,9-10H2,1H3
InChIKeyJMALWLHJBZHRDK-UHFFFAOYSA-N
XLogP2.22
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
CID 115217783
3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214284
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
3-(2-bromoethyl)-1-methylindole
CID 13153306
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
4-(1-methylindol-3-yl)-N-propylbutan-2-amine
CID 107236535
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile?
The IUPAC name of 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile (CID 115231099) is 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile.
What is the SMILES notation for 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile?
The canonical SMILES for 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile is Cn1cc(CCNCCC#N)c2ccccc21.
What is the InChIKey of 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile?
The InChIKey is JMALWLHJBZHRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-11-12(7-10-16-9-4-8-15)13-5-2-3-6-14(13)17/h2-3,5-6,11,16H,4,7,9-10H2,1H3.
What are the key properties of 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile?
3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile has a molecular weight of 227.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile is sourced from PubChem (CID 115231099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).