2-hexyl-3-methoxypyrazine

C11H18N2O — CID 528305

IUPAC2-hexyl-3-methoxypyrazine
SMILESCCCCCCc1nccnc1OC
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-7-10-11(14-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3
InChIKeyGMDSOYPKWWYSJC-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.61
Rot. Bonds6

About 2-hexyl-3-methoxypyrazine

2-hexyl-3-methoxypyrazine (PubChem CID 528305) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-hexyl-3-methoxypyrazine.

Molecular Properties

Compound Name2-hexyl-3-methoxypyrazine
PubChem CID528305
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-hexyl-3-methoxypyrazine
SMILESCCCCCCc1nccnc1OC
InChIInChI=1S/C11H18N2O/c1-3-4-5-6-7-10-11(14-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3
InChIKeyGMDSOYPKWWYSJC-UHFFFAOYSA-N
XLogP2.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-methoxypyrazine?
The IUPAC name of 2-hexyl-3-methoxypyrazine (CID 528305) is 2-hexyl-3-methoxypyrazine.
What is the SMILES notation for 2-hexyl-3-methoxypyrazine?
The canonical SMILES for 2-hexyl-3-methoxypyrazine is CCCCCCc1nccnc1OC.
What is the InChIKey of 2-hexyl-3-methoxypyrazine?
The InChIKey is GMDSOYPKWWYSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-4-5-6-7-10-11(14-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-hexyl-3-methoxypyrazine?
2-hexyl-3-methoxypyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-methoxypyrazine is sourced from PubChem (CID 528305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).