2-[(2-ethylcyclohexyl)methyl]pyrazine

C13H20N2 — CID 70536080

IUPAC2-[(2-ethylcyclohexyl)methyl]pyrazine
SMILESCCC1CCCCC1Cc1cnccn1
InChIInChI=1S/C13H20N2/c1-2-11-5-3-4-6-12(11)9-13-10-14-7-8-15-13/h7-8,10-12H,2-6,9H2,1H3
InChIKeyPUCUZCWQIGEXKA-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.24
Rot. Bonds3

About 2-[(2-ethylcyclohexyl)methyl]pyrazine

2-[(2-ethylcyclohexyl)methyl]pyrazine (PubChem CID 70536080) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)methyl]pyrazine.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)methyl]pyrazine
PubChem CID70536080
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[(2-ethylcyclohexyl)methyl]pyrazine
SMILESCCC1CCCCC1Cc1cnccn1
InChIInChI=1S/C13H20N2/c1-2-11-5-3-4-6-12(11)9-13-10-14-7-8-15-13/h7-8,10-12H,2-6,9H2,1H3
InChIKeyPUCUZCWQIGEXKA-UHFFFAOYSA-N
XLogP3.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)methyl]pyrazine?
The IUPAC name of 2-[(2-ethylcyclohexyl)methyl]pyrazine (CID 70536080) is 2-[(2-ethylcyclohexyl)methyl]pyrazine.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)methyl]pyrazine?
The canonical SMILES for 2-[(2-ethylcyclohexyl)methyl]pyrazine is CCC1CCCCC1Cc1cnccn1.
What is the InChIKey of 2-[(2-ethylcyclohexyl)methyl]pyrazine?
The InChIKey is PUCUZCWQIGEXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-11-5-3-4-6-12(11)9-13-10-14-7-8-15-13/h7-8,10-12H,2-6,9H2,1H3.
What are the key properties of 2-[(2-ethylcyclohexyl)methyl]pyrazine?
2-[(2-ethylcyclohexyl)methyl]pyrazine has a molecular weight of 204.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)methyl]pyrazine is sourced from PubChem (CID 70536080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).