(6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine

C27H38F3N3 — CID 170409671

IUPAC(6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILESC=C(/N=C1\C(C(F)(F)F)=CC=C\C1=C(\C)C(C)CCN1CCN(C(C)=C(C)C)CC1)C1CC1
InChIInChI=1S/C27H38F3N3/c1-18(2)22(6)33-16-14-32(15-17-33)13-12-19(3)20(4)24-8-7-9-25(27(28,29)30)26(24)31-21(5)23-10-11-23/h7-9,19,23H,5,10-17H2,1-4,6H3/b24-20+,31-26-
InChIKeyYJFRAYWHYAXRDW-JQWHOFTISA-N
MW461.62 g/mol
LogP6.68
Rot. Bonds7

About (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine

(6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine (PubChem CID 170409671) has the molecular formula C27H38F3N3 and a molecular weight of 461.62 g/mol. Its IUPAC name is (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
PubChem CID170409671
Molecular FormulaC27H38F3N3
Molecular Weight461.62 g/mol
Exact Mass461.30
IUPAC Name(6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine
SMILESC=C(/N=C1\C(C(F)(F)F)=CC=C\C1=C(\C)C(C)CCN1CCN(C(C)=C(C)C)CC1)C1CC1
InChIInChI=1S/C27H38F3N3/c1-18(2)22(6)33-16-14-32(15-17-33)13-12-19(3)20(4)24-8-7-9-25(27(28,29)30)26(24)31-21(5)23-10-11-23/h7-9,19,23H,5,10-17H2,1-4,6H3/b24-20+,31-26-
InChIKeyYJFRAYWHYAXRDW-JQWHOFTISA-N
XLogP6.68
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.62
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine (CID 170409671) is (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine is C=C(/N=C1\C(C(F)(F)F)=CC=C\C1=C(\C)C(C)CCN1CCN(C(C)=C(C)C)CC1)C1CC1.
What is the InChIKey of (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is YJFRAYWHYAXRDW-JQWHOFTISA-N. The full InChI is InChI=1S/C27H38F3N3/c1-18(2)22(6)33-16-14-32(15-17-33)13-12-19(3)20(4)24-8-7-9-25(27(28,29)30)26(24)31-21(5)23-10-11-23/h7-9,19,23H,5,10-17H2,1-4,6H3/b24-20+,31-26-.
What are the key properties of (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine?
(6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 461.62 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-N-(1-cyclopropylethenyl)-6-[3-methyl-5-[4-(3-methylbut-2-en-2-yl)piperazin-1-yl]pentan-2-ylidene]-2-(trifluoromethyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 170409671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).