3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine

C15H19N3O — CID 115698562

IUPAC3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
SMILESC=C(C)COCCNc1nc2ccccc2nc1C
InChIInChI=1S/C15H19N3O/c1-11(2)10-19-9-8-16-15-12(3)17-13-6-4-5-7-14(13)18-15/h4-7H,1,8-10H2,2-3H3,(H,16,18)
InChIKeyGYUDXYZJRZCPHV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.94
Rot. Bonds6

About 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine

3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine (PubChem CID 115698562) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
PubChem CID115698562
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine
SMILESC=C(C)COCCNc1nc2ccccc2nc1C
InChIInChI=1S/C15H19N3O/c1-11(2)10-19-9-8-16-15-12(3)17-13-6-4-5-7-14(13)18-15/h4-7H,1,8-10H2,2-3H3,(H,16,18)
InChIKeyGYUDXYZJRZCPHV-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine (CID 115698562) is 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine is C=C(C)COCCNc1nc2ccccc2nc1C.
What is the InChIKey of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine?
The InChIKey is GYUDXYZJRZCPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)10-19-9-8-16-15-12(3)17-13-6-4-5-7-14(13)18-15/h4-7H,1,8-10H2,2-3H3,(H,16,18).
What are the key properties of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine?
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 115698562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).