2,3-dimethyl-5-undecylpyrazine

C17H30N2 — CID 57349452

IUPAC2,3-dimethyl-5-undecylpyrazine
SMILESCCCCCCCCCCCc1cnc(C)c(C)n1
InChIInChI=1S/C17H30N2/c1-4-5-6-7-8-9-10-11-12-13-17-14-18-15(2)16(3)19-17/h14H,4-13H2,1-3H3
InChIKeyRKRVUTRSDBWHGO-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.17
Rot. Bonds10

About 2,3-dimethyl-5-undecylpyrazine

2,3-dimethyl-5-undecylpyrazine (PubChem CID 57349452) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,3-dimethyl-5-undecylpyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-undecylpyrazine
PubChem CID57349452
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2,3-dimethyl-5-undecylpyrazine
SMILESCCCCCCCCCCCc1cnc(C)c(C)n1
InChIInChI=1S/C17H30N2/c1-4-5-6-7-8-9-10-11-12-13-17-14-18-15(2)16(3)19-17/h14H,4-13H2,1-3H3
InChIKeyRKRVUTRSDBWHGO-UHFFFAOYSA-N
XLogP5.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.17
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

2-octylquinoxaline
CID 141276580
2-tetradecylquinoxaline
CID 21024312
6,7-dichloro-2-hexylquinoxaline
CID 156775502
6,7-dibromo-2-hexylquinoxaline
CID 156775501
4-methyl-2,6-dioctylpyridine
CID 66935754
2-methyl-4,6-dioctylpyrimidine
CID 66935791
4,6-didodecyl-2-methylpyrimidine
CID 66935955
4-butyl-2,6-di(docosyl)pyridine
CID 91143668
2,6-diheptyl-4-propylpyridine
CID 91426264
4,6-dihexadecylpyrimidine
CID 91309058
4,6-di(pentadecyl)pyrimidine
CID 91242686
4,6-di(tridecyl)pyrimidine
CID 91541522

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-undecylpyrazine?
The IUPAC name of 2,3-dimethyl-5-undecylpyrazine (CID 57349452) is 2,3-dimethyl-5-undecylpyrazine.
What is the SMILES notation for 2,3-dimethyl-5-undecylpyrazine?
The canonical SMILES for 2,3-dimethyl-5-undecylpyrazine is CCCCCCCCCCCc1cnc(C)c(C)n1.
What is the InChIKey of 2,3-dimethyl-5-undecylpyrazine?
The InChIKey is RKRVUTRSDBWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-5-6-7-8-9-10-11-12-13-17-14-18-15(2)16(3)19-17/h14H,4-13H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-undecylpyrazine?
2,3-dimethyl-5-undecylpyrazine has a molecular weight of 262.44 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-undecylpyrazine is sourced from PubChem (CID 57349452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).