ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine

C14H23N3 — CID 143716482

IUPACethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine
SMILESC/C=C1/N=C(C)C=N/C1=N\C=C(/C)CC.CC
InChIInChI=1S/C12H17N3.C2H6/c1-5-9(3)7-13-12-11(6-2)15-10(4)8-14-12;1-2/h6-8H,5H2,1-4H3;1-2H3/b9-7+,11-6+,13-12-;
InChIKeyGAKVTPLKTQHOQS-WFZUCMIYSA-N
MW233.36 g/mol
LogP4.17
Rot. Bonds2

About ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine

ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine (PubChem CID 143716482) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine.

Molecular Properties

Compound Nameethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine
PubChem CID143716482
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Nameethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine
SMILESC/C=C1/N=C(C)C=N/C1=N\C=C(/C)CC.CC
InChIInChI=1S/C12H17N3.C2H6/c1-5-9(3)7-13-12-11(6-2)15-10(4)8-14-12;1-2/h6-8H,5H2,1-4H3;1-2H3/b9-7+,11-6+,13-12-;
InChIKeyGAKVTPLKTQHOQS-WFZUCMIYSA-N
XLogP4.17
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine?
The IUPAC name of ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine (CID 143716482) is ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine.
What is the SMILES notation for ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine?
The canonical SMILES for ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine is C/C=C1/N=C(C)C=N/C1=N\C=C(/C)CC.CC.
What is the InChIKey of ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine?
The InChIKey is GAKVTPLKTQHOQS-WFZUCMIYSA-N. The full InChI is InChI=1S/C12H17N3.C2H6/c1-5-9(3)7-13-12-11(6-2)15-10(4)8-14-12;1-2/h6-8H,5H2,1-4H3;1-2H3/b9-7+,11-6+,13-12-;.
What are the key properties of ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine?
ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine has a molecular weight of 233.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-ethylidene-5-methyl-N-[(E)-2-methylbut-1-enyl]pyrazin-2-imine is sourced from PubChem (CID 143716482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).