(E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine

C17H26N2 — CID 142837869

IUPAC(E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine
SMILESC=CC(/C=N/C)=C(C)\N=C\C=C(/C)C1CCCCC1
InChIInChI=1S/C17H26N2/c1-5-16(13-18-4)15(3)19-12-11-14(2)17-9-7-6-8-10-17/h5,11-13,17H,1,6-10H2,2-4H3/b14-11+,16-15+,18-13+,19-12+
InChIKeyAMNLUZUGNYCIIV-AXWMSMIUSA-N
MW258.41 g/mol
LogP4.74
Rot. Bonds5

About (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine

(E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine (PubChem CID 142837869) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine
PubChem CID142837869
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine
SMILESC=CC(/C=N/C)=C(C)\N=C\C=C(/C)C1CCCCC1
InChIInChI=1S/C17H26N2/c1-5-16(13-18-4)15(3)19-12-11-14(2)17-9-7-6-8-10-17/h5,11-13,17H,1,6-10H2,2-4H3/b14-11+,16-15+,18-13+,19-12+
InChIKeyAMNLUZUGNYCIIV-AXWMSMIUSA-N
XLogP4.74
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine?
The IUPAC name of (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine (CID 142837869) is (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine.
What is the SMILES notation for (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine?
The canonical SMILES for (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine is C=CC(/C=N/C)=C(C)\N=C\C=C(/C)C1CCCCC1.
What is the InChIKey of (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine?
The InChIKey is AMNLUZUGNYCIIV-AXWMSMIUSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-16(13-18-4)15(3)19-12-11-14(2)17-9-7-6-8-10-17/h5,11-13,17H,1,6-10H2,2-4H3/b14-11+,16-15+,18-13+,19-12+.
What are the key properties of (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine?
(E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine has a molecular weight of 258.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-[(E)-3-cyclohexylbut-2-enylidene]-2-ethenyl-1-N-methylbut-2-ene-1,3-diimine is sourced from PubChem (CID 142837869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).