2-butoxy-5-propan-2-ylpyrazine

C11H18N2O — CID 58448856

IUPAC2-butoxy-5-propan-2-ylpyrazine
SMILESCCCCOc1cnc(C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-4-5-6-14-11-8-12-10(7-13-11)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyIMTKRWCQSYILIZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.78
Rot. Bonds5

About 2-butoxy-5-propan-2-ylpyrazine

2-butoxy-5-propan-2-ylpyrazine (PubChem CID 58448856) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-butoxy-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-butoxy-5-propan-2-ylpyrazine
PubChem CID58448856
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-butoxy-5-propan-2-ylpyrazine
SMILESCCCCOc1cnc(C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-4-5-6-14-11-8-12-10(7-13-11)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyIMTKRWCQSYILIZ-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.78
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-butoxy-5-propan-2-ylpyrazine?
The IUPAC name of 2-butoxy-5-propan-2-ylpyrazine (CID 58448856) is 2-butoxy-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-butoxy-5-propan-2-ylpyrazine?
The canonical SMILES for 2-butoxy-5-propan-2-ylpyrazine is CCCCOc1cnc(C(C)C)cn1.
What is the InChIKey of 2-butoxy-5-propan-2-ylpyrazine?
The InChIKey is IMTKRWCQSYILIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-5-6-14-11-8-12-10(7-13-11)9(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-butoxy-5-propan-2-ylpyrazine?
2-butoxy-5-propan-2-ylpyrazine has a molecular weight of 194.28 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-propan-2-ylpyrazine is sourced from PubChem (CID 58448856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).