2-(5,5-dimethylhexyl)pyrazine

C12H20N2 — CID 59842140

IUPAC2-(5,5-dimethylhexyl)pyrazine
SMILESCC(C)(C)CCCCc1cnccn1
InChIInChI=1S/C12H20N2/c1-12(2,3)7-5-4-6-11-10-13-8-9-14-11/h8-10H,4-7H2,1-3H3
InChIKeyKPQJILKAHZPQJV-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.24
Rot. Bonds4

About 2-(5,5-dimethylhexyl)pyrazine

2-(5,5-dimethylhexyl)pyrazine (PubChem CID 59842140) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-(5,5-dimethylhexyl)pyrazine.

Molecular Properties

Compound Name2-(5,5-dimethylhexyl)pyrazine
PubChem CID59842140
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-(5,5-dimethylhexyl)pyrazine
SMILESCC(C)(C)CCCCc1cnccn1
InChIInChI=1S/C12H20N2/c1-12(2,3)7-5-4-6-11-10-13-8-9-14-11/h8-10H,4-7H2,1-3H3
InChIKeyKPQJILKAHZPQJV-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.24
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-Isobutyl-3-methyl pyrazine
CID 26333
Propylpyrazine
CID 87466
2-Butyl-3-methylpyrazine
CID 85228
(Cyclohexylmethyl)pyrazine
CID 16204532
2-Methyl-5-propylpyrazine
CID 122383
Pyrazine, (2-methylpropyl)-
CID 34591
Pentylpyrazine
CID 80551
2-Isobutyl-3,6-dimethyl-pyrazine
CID 520585
2,3-Dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
2-Methyl-6-(3-methylbutyl)pyrazine
CID 572730
2,3-Dimethyl-5-propylpyrazine
CID 520566
2-Isobutyl-3,5-dimethyl-pyrazine
CID 578817

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylhexyl)pyrazine?
The IUPAC name of 2-(5,5-dimethylhexyl)pyrazine (CID 59842140) is 2-(5,5-dimethylhexyl)pyrazine.
What is the SMILES notation for 2-(5,5-dimethylhexyl)pyrazine?
The canonical SMILES for 2-(5,5-dimethylhexyl)pyrazine is CC(C)(C)CCCCc1cnccn1.
What is the InChIKey of 2-(5,5-dimethylhexyl)pyrazine?
The InChIKey is KPQJILKAHZPQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-12(2,3)7-5-4-6-11-10-13-8-9-14-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-(5,5-dimethylhexyl)pyrazine?
2-(5,5-dimethylhexyl)pyrazine has a molecular weight of 192.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylhexyl)pyrazine is sourced from PubChem (CID 59842140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).