2-(6,6-dimethylheptan-3-yl)pyrazine

C13H22N2 — CID 58205116

IUPAC2-(6,6-dimethylheptan-3-yl)pyrazine
SMILESCCC(CCC(C)(C)C)c1cnccn1
InChIInChI=1S/C13H22N2/c1-5-11(6-7-13(2,3)4)12-10-14-8-9-15-12/h8-11H,5-7H2,1-4H3
InChIKeyLXNACKHGEWTZNA-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.80
Rot. Bonds4

About 2-(6,6-dimethylheptan-3-yl)pyrazine

2-(6,6-dimethylheptan-3-yl)pyrazine (PubChem CID 58205116) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(6,6-dimethylheptan-3-yl)pyrazine.

Molecular Properties

Compound Name2-(6,6-dimethylheptan-3-yl)pyrazine
PubChem CID58205116
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(6,6-dimethylheptan-3-yl)pyrazine
SMILESCCC(CCC(C)(C)C)c1cnccn1
InChIInChI=1S/C13H22N2/c1-5-11(6-7-13(2,3)4)12-10-14-8-9-15-12/h8-11H,5-7H2,1-4H3
InChIKeyLXNACKHGEWTZNA-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isobutyl-3-methyl pyrazine
CID 26333
Propylpyrazine
CID 87466
(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
2,5-Dimethyl-3-(3-methylbutyl)pyrazine
CID 519564

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylheptan-3-yl)pyrazine?
The IUPAC name of 2-(6,6-dimethylheptan-3-yl)pyrazine (CID 58205116) is 2-(6,6-dimethylheptan-3-yl)pyrazine.
What is the SMILES notation for 2-(6,6-dimethylheptan-3-yl)pyrazine?
The canonical SMILES for 2-(6,6-dimethylheptan-3-yl)pyrazine is CCC(CCC(C)(C)C)c1cnccn1.
What is the InChIKey of 2-(6,6-dimethylheptan-3-yl)pyrazine?
The InChIKey is LXNACKHGEWTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-11(6-7-13(2,3)4)12-10-14-8-9-15-12/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(6,6-dimethylheptan-3-yl)pyrazine?
2-(6,6-dimethylheptan-3-yl)pyrazine has a molecular weight of 206.33 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylheptan-3-yl)pyrazine is sourced from PubChem (CID 58205116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).