2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile

C16H21N3 — CID 63913717

IUPAC2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCc2ccccc21)C1CC1
InChIInChI=1S/C16H21N3/c1-2-18-16(11-17,14-7-8-14)12-19-10-9-13-5-3-4-6-15(13)19/h3-6,14,18H,2,7-10,12H2,1H3
InChIKeyFRNXNAZUALDJTR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.33
Rot. Bonds5

About 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile

2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile (PubChem CID 63913717) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile
PubChem CID63913717
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(CN1CCc2ccccc21)C1CC1
InChIInChI=1S/C16H21N3/c1-2-18-16(11-17,14-7-8-14)12-19-10-9-13-5-3-4-6-15(13)19/h3-6,14,18H,2,7-10,12H2,1H3
InChIKeyFRNXNAZUALDJTR-UHFFFAOYSA-N
XLogP2.33
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile
CID 63913497
1-(2,3-dihydroindol-1-yl)-N-ethyl-2-methylpropan-2-amine
CID 62834088
1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
2-cyclopropyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2-(propylamino)propan-1-ol
CID 64798243
2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
CID 63912507
2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
CID 106802800
2-cyclopropyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2-(methylamino)propan-1-ol
CID 64796310
2-cyclopropyl-3-(4-cyclopropylpiperazin-1-yl)-2-(ethylamino)propanenitrile
CID 63912068
5-(2,3-dihydroindol-1-yl)-2-ethyl-2-(propylamino)pentanenitrile
CID 106802798
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794
2-(2,3-dihydroindol-1-ylmethyl)-N,2-dimethylbutan-1-amine
CID 62262026
5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
CID 65257292

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile (CID 63913717) is 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile is CCNC(C#N)(CN1CCc2ccccc21)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile?
The InChIKey is FRNXNAZUALDJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-18-16(11-17,14-7-8-14)12-19-10-9-13-5-3-4-6-15(13)19/h3-6,14,18H,2,7-10,12H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile?
2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile has a molecular weight of 255.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63913717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).