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

C14H17N3 — CID 63913497

IUPAC2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile
SMILESN#CC(N)(CN1CCc2ccccc21)C1CC1
InChIInChI=1S/C14H17N3/c15-9-14(16,12-5-6-12)10-17-8-7-11-3-1-2-4-13(11)17/h1-4,12H,5-8,10,16H2
InChIKeyJYRIOYBVWDNGHH-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.68
Rot. Bonds3

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

2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile (PubChem CID 63913497) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile
PubChem CID63913497
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile
SMILESN#CC(N)(CN1CCc2ccccc21)C1CC1
InChIInChI=1S/C14H17N3/c15-9-14(16,12-5-6-12)10-17-8-7-11-3-1-2-4-13(11)17/h1-4,12H,5-8,10,16H2
InChIKeyJYRIOYBVWDNGHH-UHFFFAOYSA-N
XLogP1.68
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanenitrile
CID 63906454
2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile
CID 63913717
2-amino-4-(2,3-dihydroindol-1-yl)-2-phenylbutanenitrile
CID 116692280
1-(2,2-dimethylbutyl)-2,3-dihydroindole
CID 167187652
5-(2,3-dihydroindol-1-yl)-2,2-dimethylpentanenitrile
CID 65257292
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanethioamide
CID 82116491
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
3-(2,3-dihydroindol-1-yl)-2,2-dimethylpropanal
CID 62277118
1-cyclopropyl-2-(2,3-dihydroindol-1-yl)ethanone
CID 63912554
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
2-(cyclopropylamino)-5-(2,3-dihydroindol-1-yl)-2-ethylpentanenitrile
CID 106802800

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile (CID 63913497) is 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile is N#CC(N)(CN1CCc2ccccc21)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile?
The InChIKey is JYRIOYBVWDNGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-14(16,12-5-6-12)10-17-8-7-11-3-1-2-4-13(11)17/h1-4,12H,5-8,10,16H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile?
2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile has a molecular weight of 227.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2,3-dihydroindol-1-yl)propanenitrile is sourced from PubChem (CID 63913497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).