2-amino-2-quinolin-6-ylacetonitrile

C11H9N3 — CID 63968103

IUPAC2-amino-2-quinolin-6-ylacetonitrile
SMILESN#CC(N)c1ccc2ncccc2c1
InChIInChI=1S/C11H9N3/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h1-6,10H,13H2
InChIKeyUTWWFESIXXNUHI-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.76
Rot. Bonds1

About 2-amino-2-quinolin-6-ylacetonitrile

2-amino-2-quinolin-6-ylacetonitrile (PubChem CID 63968103) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-2-quinolin-6-ylacetonitrile.

Molecular Properties

Compound Name2-amino-2-quinolin-6-ylacetonitrile
PubChem CID63968103
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-amino-2-quinolin-6-ylacetonitrile
SMILESN#CC(N)c1ccc2ncccc2c1
InChIInChI=1S/C11H9N3/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h1-6,10H,13H2
InChIKeyUTWWFESIXXNUHI-UHFFFAOYSA-N
XLogP1.76
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
2,2-difluoro-1-quinolin-6-ylethanamine
CID 80604993
2-(propan-2-ylamino)-2-quinolin-6-ylacetonitrile
CID 63968719
1-quinolin-6-ylbutan-1-amine
CID 63095616
2-quinolin-6-yl-2-trimethylsilyloxyacetonitrile
CID 63970187
(1S)-1-quinolin-6-ylprop-2-en-1-amine
CID 130700290
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile
CID 65420095
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
2-[hydroxy(quinolin-6-yl)methyl]-2-methylbutanenitrile
CID 79133168
1-quinolin-6-yldecan-1-amine
CID 63418413

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-quinolin-6-ylacetonitrile?
The IUPAC name of 2-amino-2-quinolin-6-ylacetonitrile (CID 63968103) is 2-amino-2-quinolin-6-ylacetonitrile.
What is the SMILES notation for 2-amino-2-quinolin-6-ylacetonitrile?
The canonical SMILES for 2-amino-2-quinolin-6-ylacetonitrile is N#CC(N)c1ccc2ncccc2c1.
What is the InChIKey of 2-amino-2-quinolin-6-ylacetonitrile?
The InChIKey is UTWWFESIXXNUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h1-6,10H,13H2.
What are the key properties of 2-amino-2-quinolin-6-ylacetonitrile?
2-amino-2-quinolin-6-ylacetonitrile has a molecular weight of 183.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-quinolin-6-ylacetonitrile is sourced from PubChem (CID 63968103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).