2-decylpyrazine

C14H24N2 — CID 19734039

IUPAC2-decylpyrazine
SMILESCCCCCCCCCCc1cnccn1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-7-8-9-10-14-13-15-11-12-16-14/h11-13H,2-10H2,1H3
InChIKeyOJWKJCMLVBQAOY-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.16
Rot. Bonds9

About 2-decylpyrazine

2-decylpyrazine (PubChem CID 19734039) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-decylpyrazine.

Molecular Properties

Compound Name2-decylpyrazine
PubChem CID19734039
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-decylpyrazine
SMILESCCCCCCCCCCc1cnccn1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-7-8-9-10-14-13-15-11-12-16-14/h11-13H,2-10H2,1H3
InChIKeyOJWKJCMLVBQAOY-UHFFFAOYSA-N
XLogP4.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-decylpyrazine?
The IUPAC name of 2-decylpyrazine (CID 19734039) is 2-decylpyrazine.
What is the SMILES notation for 2-decylpyrazine?
The canonical SMILES for 2-decylpyrazine is CCCCCCCCCCc1cnccn1.
What is the InChIKey of 2-decylpyrazine?
The InChIKey is OJWKJCMLVBQAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-3-4-5-6-7-8-9-10-14-13-15-11-12-16-14/h11-13H,2-10H2,1H3.
What are the key properties of 2-decylpyrazine?
2-decylpyrazine has a molecular weight of 220.36 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decylpyrazine is sourced from PubChem (CID 19734039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).