2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine

C13H22N2 — CID 167021779

IUPAC2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine
SMILESCC=CCC(CC)CC1N=CC=NC1C
InChIInChI=1S/C13H22N2/c1-4-6-7-12(5-2)10-13-11(3)14-8-9-15-13/h4,6,8-9,11-13H,5,7,10H2,1-3H3
InChIKeyWQVMJXGHACBVDV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine

2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine (PubChem CID 167021779) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine.

Molecular Properties

Compound Name2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine
PubChem CID167021779
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine
SMILESCC=CCC(CC)CC1N=CC=NC1C
InChIInChI=1S/C13H22N2/c1-4-6-7-12(5-2)10-13-11(3)14-8-9-15-13/h4,6,8-9,11-13H,5,7,10H2,1-3H3
InChIKeyWQVMJXGHACBVDV-UHFFFAOYSA-N
XLogP3.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine?
The IUPAC name of 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine (CID 167021779) is 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine.
What is the SMILES notation for 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine?
The canonical SMILES for 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine is CC=CCC(CC)CC1N=CC=NC1C.
What is the InChIKey of 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine?
The InChIKey is WQVMJXGHACBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-7-12(5-2)10-13-11(3)14-8-9-15-13/h4,6,8-9,11-13H,5,7,10H2,1-3H3.
What are the key properties of 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine?
2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine has a molecular weight of 206.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhex-4-enyl)-3-methyl-2,3-dihydropyrazine is sourced from PubChem (CID 167021779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).