1-(2,3-dimethylquinoxalin-6-yl)ethenamine

C12H13N3 — CID 142028835

IUPAC1-(2,3-dimethylquinoxalin-6-yl)ethenamine
SMILESC=C(N)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C12H13N3/c1-7(13)10-4-5-11-12(6-10)15-9(3)8(2)14-11/h4-6H,1,13H2,2-3H3
InChIKeyGPTWAQCIOIITCI-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.18
Rot. Bonds1

About 1-(2,3-dimethylquinoxalin-6-yl)ethenamine

1-(2,3-dimethylquinoxalin-6-yl)ethenamine (PubChem CID 142028835) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)ethenamine.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)ethenamine
PubChem CID142028835
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)ethenamine
SMILESC=C(N)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C12H13N3/c1-7(13)10-4-5-11-12(6-10)15-9(3)8(2)14-11/h4-6H,1,13H2,2-3H3
InChIKeyGPTWAQCIOIITCI-UHFFFAOYSA-N
XLogP2.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dimethylquinoxalin-6-yl)-2,3-dimethylquinoxaline
CID 132512654
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate
CID 71944013
1-(3-fluoro-4-methylphenyl)ethenamine
CID 129060192
(2,6-dimethylphenyl) 2,3-dimethylquinoxaline-6-carboxylate
CID 9192017
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752
1-(4-ethylquinolin-7-yl)ethenamine
CID 142584591
2,3-dimethylpyrazino[2,3-b]phenazine
CID 101041837
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 74233745

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)ethenamine?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)ethenamine (CID 142028835) is 1-(2,3-dimethylquinoxalin-6-yl)ethenamine.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)ethenamine?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)ethenamine is C=C(N)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)ethenamine?
The InChIKey is GPTWAQCIOIITCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-7(13)10-4-5-11-12(6-10)15-9(3)8(2)14-11/h4-6H,1,13H2,2-3H3.
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)ethenamine?
1-(2,3-dimethylquinoxalin-6-yl)ethenamine has a molecular weight of 199.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)ethenamine is sourced from PubChem (CID 142028835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).