2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine

C18H28N2 — CID 134465979

IUPAC2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine
SMILESC=CC(C)CCC1CCC(c2cncc(CC)n2)CC1
InChIInChI=1S/C18H28N2/c1-4-14(3)6-7-15-8-10-16(11-9-15)18-13-19-12-17(5-2)20-18/h4,12-16H,1,5-11H2,2-3H3
InChIKeyMCQFGEFLOWDIBD-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.92
Rot. Bonds6

About 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine

2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine (PubChem CID 134465979) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine.

Molecular Properties

Compound Name2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine
PubChem CID134465979
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine
SMILESC=CC(C)CCC1CCC(c2cncc(CC)n2)CC1
InChIInChI=1S/C18H28N2/c1-4-14(3)6-7-15-8-10-16(11-9-15)18-13-19-12-17(5-2)20-18/h4,12-16H,1,5-11H2,2-3H3
InChIKeyMCQFGEFLOWDIBD-UHFFFAOYSA-N
XLogP4.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.92
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-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine?
The IUPAC name of 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine (CID 134465979) is 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine.
What is the SMILES notation for 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine?
The canonical SMILES for 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine is C=CC(C)CCC1CCC(c2cncc(CC)n2)CC1.
What is the InChIKey of 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine?
The InChIKey is MCQFGEFLOWDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-14(3)6-7-15-8-10-16(11-9-15)18-13-19-12-17(5-2)20-18/h4,12-16H,1,5-11H2,2-3H3.
What are the key properties of 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine?
2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine has a molecular weight of 272.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[4-(3-methylpent-4-enyl)cyclohexyl]pyrazine is sourced from PubChem (CID 134465979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).