3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine

C14H18N4O — CID 102987489

IUPAC3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
SMILESC=C(C)COCCNc1nc2ccccc2nc1N
InChIInChI=1S/C14H18N4O/c1-10(2)9-19-8-7-16-14-13(15)17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H2,15,17)(H,16,18)
InChIKeyUEHUJMVRIRMSKD-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.22
Rot. Bonds6

About 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine

3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine (PubChem CID 102987489) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
PubChem CID102987489
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
SMILESC=C(C)COCCNc1nc2ccccc2nc1N
InChIInChI=1S/C14H18N4O/c1-10(2)9-19-8-7-16-14-13(15)17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H2,15,17)(H,16,18)
InChIKeyUEHUJMVRIRMSKD-UHFFFAOYSA-N
XLogP2.22
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine?
The IUPAC name of 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine (CID 102987489) is 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine is C=C(C)COCCNc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine?
The InChIKey is UEHUJMVRIRMSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10(2)9-19-8-7-16-14-13(15)17-11-5-3-4-6-12(11)18-14/h3-6H,1,7-9H2,2H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine?
3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine has a molecular weight of 258.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 102987489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).