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

C13H15N3 — CID 115131227

IUPAC2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
SMILESCn1cc(CCNCC#N)c2ccccc21
InChIInChI=1S/C13H15N3/c1-16-10-11(6-8-15-9-7-14)12-4-2-3-5-13(12)16/h2-5,10,15H,6,8-9H2,1H3
InChIKeyNDBWWHBUKGOCHK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.83
Rot. Bonds4

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

2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile (PubChem CID 115131227) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
PubChem CID115131227
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
SMILESCn1cc(CCNCC#N)c2ccccc21
InChIInChI=1S/C13H15N3/c1-16-10-11(6-8-15-9-7-14)12-4-2-3-5-13(12)16/h2-5,10,15H,6,8-9H2,1H3
InChIKeyNDBWWHBUKGOCHK-UHFFFAOYSA-N
XLogP1.83
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
CID 115231099
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
methyl N-[2-(1-methylindol-3-yl)ethyl]carbamate
CID 14613226
3-[[2-(1-methylindol-3-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214284
3-(2-bromoethyl)-1-methylindole
CID 13153306
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
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 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile?
The IUPAC name of 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile (CID 115131227) is 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile?
The canonical SMILES for 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile is Cn1cc(CCNCC#N)c2ccccc21.
What is the InChIKey of 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile?
The InChIKey is NDBWWHBUKGOCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16-10-11(6-8-15-9-7-14)12-4-2-3-5-13(12)16/h2-5,10,15H,6,8-9H2,1H3.
What are the key properties of 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile?
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile is sourced from PubChem (CID 115131227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).