4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile

C14H19N3 — CID 63028473

IUPAC4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCN1CCc2ccccc21
InChIInChI=1S/C14H19N3/c1-2-16-13(11-15)8-10-17-9-7-12-5-3-4-6-14(12)17/h3-6,13,16H,2,7-10H2,1H3
InChIKeySDFAUAFEUXWSOI-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.94
Rot. Bonds5

About 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile

4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile (PubChem CID 63028473) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile
PubChem CID63028473
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCN1CCc2ccccc21
InChIInChI=1S/C14H19N3/c1-2-16-13(11-15)8-10-17-9-7-12-5-3-4-6-14(12)17/h3-6,13,16H,2,7-10H2,1H3
InChIKeySDFAUAFEUXWSOI-UHFFFAOYSA-N
XLogP1.94
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propylamino)butanenitrile
CID 63779140
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
2-(cyclopropylamino)-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
CID 55142937
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286
1-butyl-2,3-dihydroindole
CID 4167209
2-amino-4-(3,4-dihydro-2H-quinolin-1-yl)butanenitrile
CID 63028093
2-(2,3-dihydroindol-1-yl)ethanol;hydrochloride
CID 169005265
2-(ethylamino)-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-ol
CID 64789194
5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
CID 65257292
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64796909
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile (CID 63028473) is 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile is CCNC(C#N)CCN1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile?
The InChIKey is SDFAUAFEUXWSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-16-13(11-15)8-10-17-9-7-12-5-3-4-6-14(12)17/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile?
4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile has a molecular weight of 229.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-2-(ethylamino)butanenitrile is sourced from PubChem (CID 63028473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).