2,5-dibutyl-3,6-dimethylpyrazine

C14H24N2 — CID 601225

IUPAC2,5-dibutyl-3,6-dimethylpyrazine
SMILESCCCCc1nc(C)c(CCCC)nc1C
InChIInChI=1S/C14H24N2/c1-5-7-9-13-11(3)16-14(10-8-6-2)12(4)15-13/h5-10H2,1-4H3
InChIKeyNKCSNDPVROOLKT-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.78
Rot. Bonds6

About 2,5-dibutyl-3,6-dimethylpyrazine

2,5-dibutyl-3,6-dimethylpyrazine (PubChem CID 601225) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,5-dibutyl-3,6-dimethylpyrazine.

Molecular Properties

Compound Name2,5-dibutyl-3,6-dimethylpyrazine
PubChem CID601225
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2,5-dibutyl-3,6-dimethylpyrazine
SMILESCCCCc1nc(C)c(CCCC)nc1C
InChIInChI=1S/C14H24N2/c1-5-7-9-13-11(3)16-14(10-8-6-2)12(4)15-13/h5-10H2,1-4H3
InChIKeyNKCSNDPVROOLKT-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibutyl-3,6-dimethylpyrazine?
The IUPAC name of 2,5-dibutyl-3,6-dimethylpyrazine (CID 601225) is 2,5-dibutyl-3,6-dimethylpyrazine.
What is the SMILES notation for 2,5-dibutyl-3,6-dimethylpyrazine?
The canonical SMILES for 2,5-dibutyl-3,6-dimethylpyrazine is CCCCc1nc(C)c(CCCC)nc1C.
What is the InChIKey of 2,5-dibutyl-3,6-dimethylpyrazine?
The InChIKey is NKCSNDPVROOLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-7-9-13-11(3)16-14(10-8-6-2)12(4)15-13/h5-10H2,1-4H3.
What are the key properties of 2,5-dibutyl-3,6-dimethylpyrazine?
2,5-dibutyl-3,6-dimethylpyrazine has a molecular weight of 220.36 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibutyl-3,6-dimethylpyrazine is sourced from PubChem (CID 601225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).