5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine

C18H22F3N3 — CID 123274532

IUPAC5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine
SMILESC=CC=C(C=C(C)CCC(C)=NN1C=CN=C(C)C1=C)C(F)(F)F
InChIInChI=1S/C18H22F3N3/c1-6-7-17(18(19,20)21)12-13(2)8-9-14(3)23-24-11-10-22-15(4)16(24)5/h6-7,10-12H,1,5,8-9H2,2-4H3
InChIKeyLHLVQRXZBJAMJC-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.52
Rot. Bonds6

About 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine

5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine (PubChem CID 123274532) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine
PubChem CID123274532
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine
SMILESC=CC=C(C=C(C)CCC(C)=NN1C=CN=C(C)C1=C)C(F)(F)F
InChIInChI=1S/C18H22F3N3/c1-6-7-17(18(19,20)21)12-13(2)8-9-14(3)23-24-11-10-22-15(4)16(24)5/h6-7,10-12H,1,5,8-9H2,2-4H3
InChIKeyLHLVQRXZBJAMJC-UHFFFAOYSA-N
XLogP5.52
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-ethyl-3-methyl-2-methylidene-1-pyridinyl)-1,1,1-trifluoropropan-2-imine
CID 134468900
5,5,5-trifluoro-N-[(1E)-2-[6-methylidene-1-[(5-propyl-2H-pyrrol-3-yl)methyl]pyridazin-3-yl]buta-1,3-dienyl]pentan-2-imine
CID 170204756
(E)-1-[(2Z)-2-ethylidene-1-propyl-4-pyridinyl]-4,4,4-trifluoro-N-(methylideneamino)butan-1-imine
CID 170270630
3-ethenyl-5-[(7Z,8E,10Z)-7-ethylidene-9-fluorododeca-8,10-dienyl]-1-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-4H-pyridazine
CID 143431310
5-methyl-2-[(2Z,4Z)-6-methyl-3-(trifluoromethyl)hepta-2,4,6-trien-2-yl]-N-[(Z)-prop-1-enyl]cyclohexa-2,4-dien-1-imine
CID 153577633
1-Ethenyl-5-methyl-6-methylidene-3-propylpyridazine
CID 143842653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine?
The IUPAC name of 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine (CID 123274532) is 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine?
The canonical SMILES for 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine is C=CC=C(C=C(C)CCC(C)=NN1C=CN=C(C)C1=C)C(F)(F)F.
What is the InChIKey of 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine?
The InChIKey is LHLVQRXZBJAMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3/c1-6-7-17(18(19,20)21)12-13(2)8-9-14(3)23-24-11-10-22-15(4)16(24)5/h6-7,10-12H,1,5,8-9H2,2-4H3.
What are the key properties of 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine?
5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine has a molecular weight of 337.39 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-methylidenepyrazin-1-yl)-7-(trifluoromethyl)deca-5,7,9-trien-2-imine is sourced from PubChem (CID 123274532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).