N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine

C12H13N3 — CID 107357254

IUPACN-methyl-1-quinoxalin-2-ylprop-2-en-1-amine
SMILESC=CC(NC)c1cnc2ccccc2n1
InChIInChI=1S/C12H13N3/c1-3-9(13-2)12-8-14-10-6-4-5-7-11(10)15-12/h3-9,13H,1H2,2H3
InChIKeyMUIQWFJXOPCEDJ-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.08
Rot. Bonds3

About N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine

N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine (PubChem CID 107357254) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinoxalin-2-ylprop-2-en-1-amine
PubChem CID107357254
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC NameN-methyl-1-quinoxalin-2-ylprop-2-en-1-amine
SMILESC=CC(NC)c1cnc2ccccc2n1
InChIInChI=1S/C12H13N3/c1-3-9(13-2)12-8-14-10-6-4-5-7-11(10)15-12/h3-9,13H,1H2,2H3
InChIKeyMUIQWFJXOPCEDJ-UHFFFAOYSA-N
XLogP2.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356897
1-(3,5-dimethylphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356945
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356910
1-(3,5-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357086
N,2-dimethyl-1-quinoxalin-2-ylpentan-1-amine
CID 107894235
1-(2,3-difluorophenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357167
1-quinoxalin-2-yl-1-sulfanylpropan-2-one
CID 175599702
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107357474
1-quinoxalin-2-ylethyl formate
CID 174662110
(2,2-dimethyl-1-quinoxalin-2-ylpropyl)hydrazine
CID 107357866
1-(3-methoxyphenyl)-N-methyl-1-quinoxalin-2-ylmethanamine
CID 107356903
3-quinoxalin-2-ylbutan-2-one
CID 63196763

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine?
The IUPAC name of N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine (CID 107357254) is N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine?
The canonical SMILES for N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine is C=CC(NC)c1cnc2ccccc2n1.
What is the InChIKey of N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine?
The InChIKey is MUIQWFJXOPCEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-9(13-2)12-8-14-10-6-4-5-7-11(10)15-12/h3-9,13H,1H2,2H3.
What are the key properties of N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine?
N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine has a molecular weight of 199.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinoxalin-2-ylprop-2-en-1-amine is sourced from PubChem (CID 107357254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).