5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile

C18H27N3 — CID 106802798

IUPAC5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN1CCc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-12-20-18(4-2,15-19)11-7-13-21-14-10-16-8-5-6-9-17(16)21/h5-6,8-9,20H,3-4,7,10-14H2,1-2H3
InChIKeyGGHFNGBHMFTZPI-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.50
Rot. Bonds8

About 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile

5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile (PubChem CID 106802798) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
PubChem CID106802798
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
SMILESCCCNC(C#N)(CC)CCCN1CCc2ccccc21
InChIInChI=1S/C18H27N3/c1-3-12-20-18(4-2,15-19)11-7-13-21-14-10-16-8-5-6-9-17(16)21/h5-6,8-9,20H,3-4,7,10-14H2,1-2H3
InChIKeyGGHFNGBHMFTZPI-UHFFFAOYSA-N
XLogP3.50
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indoline
CID 10328
2-Methylindoline
CID 23305
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
2-(Benzylamino)benzonitrile
CID 324787
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
3-[(2,5-Dimethylphenyl)amino]propanenitrile
CID 2416544
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
1-Benzyl-4-(o-toluidino)piperidine-4-carbonitrile
CID 70415
3-(O-Toluidino)propionitrile
CID 256834
5-Fluoroindoline
CID 2774463

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile (CID 106802798) is 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile is CCCNC(C#N)(CC)CCCN1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile?
The InChIKey is GGHFNGBHMFTZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-12-20-18(4-2,15-19)11-7-13-21-14-10-16-8-5-6-9-17(16)21/h5-6,8-9,20H,3-4,7,10-14H2,1-2H3.
What are the key properties of 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile?
5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile has a molecular weight of 285.44 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile is sourced from PubChem (CID 106802798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).