6-heptyl-2,5-dimethyl-2,3-dihydropyrazine

C13H24N2 — CID 6429370

IUPAC6-heptyl-2,5-dimethyl-2,3-dihydropyrazine
SMILESCCCCCCCC1=NC(C)CN=C1C
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-13-12(3)14-10-11(2)15-13/h11H,4-10H2,1-3H3
InChIKeyVLFBCIPUHLLJEH-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.65
Rot. Bonds6

About 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine

6-heptyl-2,5-dimethyl-2,3-dihydropyrazine (PubChem CID 6429370) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine.

Molecular Properties

Compound Name6-heptyl-2,5-dimethyl-2,3-dihydropyrazine
PubChem CID6429370
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name6-heptyl-2,5-dimethyl-2,3-dihydropyrazine
SMILESCCCCCCCC1=NC(C)CN=C1C
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-13-12(3)14-10-11(2)15-13/h11H,4-10H2,1-3H3
InChIKeyVLFBCIPUHLLJEH-UHFFFAOYSA-N
XLogP3.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.65
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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Related Compounds

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2-methyl-6-undecyl-2,3,4,5-tetrahydropyridine
CID 15706651
2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine
CID 139928363
decane;trichlorosilane;hydrofluoride
CID 174927652
5-nonyl-2H-pyrrole
CID 67015272
heptane;nickel
CID 172769107
4,5-dihexyl-3,6-dimethylpyridazine
CID 58250570
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
CID 159869190
4-methyl-2,6-dioctylpyridine
CID 66935754
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,5,6-trioctylpyrimidine
CID 91147699
4-methyl-5-octyl-2H-triazole
CID 21337908

Frequently Asked Questions

What is the IUPAC name of 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine?
The IUPAC name of 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine (CID 6429370) is 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine.
What is the SMILES notation for 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine?
The canonical SMILES for 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine is CCCCCCCC1=NC(C)CN=C1C.
What is the InChIKey of 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine?
The InChIKey is VLFBCIPUHLLJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-6-7-8-9-13-12(3)14-10-11(2)15-13/h11H,4-10H2,1-3H3.
What are the key properties of 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine?
6-heptyl-2,5-dimethyl-2,3-dihydropyrazine has a molecular weight of 208.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-2,5-dimethyl-2,3-dihydropyrazine is sourced from PubChem (CID 6429370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).