3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine

C13H16N4 — CID 102987357

IUPAC3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine
SMILESC=C(C)CN(C)c1nc2ccccc2nc1N
InChIInChI=1S/C13H16N4/c1-9(2)8-17(3)13-12(14)15-10-6-4-5-7-11(10)16-13/h4-7H,1,8H2,2-3H3,(H2,14,15)
InChIKeyGLVRZXIMUKXUIM-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.22
Rot. Bonds3

About 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine

3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine (PubChem CID 102987357) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine
PubChem CID102987357
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine
SMILESC=C(C)CN(C)c1nc2ccccc2nc1N
InChIInChI=1S/C13H16N4/c1-9(2)8-17(3)13-12(14)15-10-6-4-5-7-11(10)16-13/h4-7H,1,8H2,2-3H3,(H2,14,15)
InChIKeyGLVRZXIMUKXUIM-UHFFFAOYSA-N
XLogP2.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-N-(2-methylprop-2-enyl)quinoxalin-2-amine
CID 133439230
3-N-methyl-3-N-propylquinoxaline-2,3-diamine
CID 102985418
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-N,3-N-dimethyl-2-N,3-N-bis(2-methylprop-2-enyl)pyrido[2,3-b]pyrazine-2,3-diamine
CID 133439337
3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
CID 102986988
4-(aminomethyl)-N-methyl-N-(2-methylprop-2-enyl)isoquinolin-1-amine
CID 106776889
3-N-ethyl-3-N-(2-methylbutyl)quinoxaline-2,3-diamine
CID 102986815
3-N,3-N-bis(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102986130
3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
CID 102987398
4-N-methyl-4-N-(2-methylprop-2-enyl)benzene-1,4-diamine
CID 130933659
3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
CID 102985570
3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
CID 102987489

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine (CID 102987357) is 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine is C=C(C)CN(C)c1nc2ccccc2nc1N.
What is the InChIKey of 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine?
The InChIKey is GLVRZXIMUKXUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9(2)8-17(3)13-12(14)15-10-6-4-5-7-11(10)16-13/h4-7H,1,8H2,2-3H3,(H2,14,15).
What are the key properties of 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine?
3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(2-methylprop-2-enyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102987357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).