3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine

C13H16N4 — CID 102986988

IUPAC3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
SMILESC=CCN(CC)c1nc2ccccc2nc1N
InChIInChI=1S/C13H16N4/c1-3-9-17(4-2)13-12(14)15-10-7-5-6-8-11(10)16-13/h3,5-8H,1,4,9H2,2H3,(H2,14,15)
InChIKeyFADAVLDLAFYNIP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.22
Rot. Bonds4

About 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine

3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine (PubChem CID 102986988) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
PubChem CID102986988
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine
SMILESC=CCN(CC)c1nc2ccccc2nc1N
InChIInChI=1S/C13H16N4/c1-3-9-17(4-2)13-12(14)15-10-7-5-6-8-11(10)16-13/h3,5-8H,1,4,9H2,2H3,(H2,14,15)
InChIKeyFADAVLDLAFYNIP-UHFFFAOYSA-N
XLogP2.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine (CID 102986988) is 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine is C=CCN(CC)c1nc2ccccc2nc1N.
What is the InChIKey of 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine?
The InChIKey is FADAVLDLAFYNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-9-17(4-2)13-12(14)15-10-7-5-6-8-11(10)16-13/h3,5-8H,1,4,9H2,2H3,(H2,14,15).
What are the key properties of 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine?
3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-prop-2-enylquinoxaline-2,3-diamine is sourced from PubChem (CID 102986988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).