(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine

C14H22N2 — CID 134594116

IUPAC(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine
SMILESC=CC(/C=N/C)=C(\N=C\C=C/C)C(C)CC
InChIInChI=1S/C14H22N2/c1-6-9-10-16-14(12(4)7-2)13(8-3)11-15-5/h6,8-12H,3,7H2,1-2,4-5H3/b9-6-,14-13+,15-11+,16-10+
InChIKeyMKVGLAUBFNQTJL-XOZSZFJZSA-N
MW218.34 g/mol
LogP3.82
Rot. Bonds6

About (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine

(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine (PubChem CID 134594116) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine
PubChem CID134594116
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine
SMILESC=CC(/C=N/C)=C(\N=C\C=C/C)C(C)CC
InChIInChI=1S/C14H22N2/c1-6-9-10-16-14(12(4)7-2)13(8-3)11-15-5/h6,8-12H,3,7H2,1-2,4-5H3/b9-6-,14-13+,15-11+,16-10+
InChIKeyMKVGLAUBFNQTJL-XOZSZFJZSA-N
XLogP3.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.82
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-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine?
The IUPAC name of (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine (CID 134594116) is (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine.
What is the SMILES notation for (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine?
The canonical SMILES for (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine is C=CC(/C=N/C)=C(\N=C\C=C/C)C(C)CC.
What is the InChIKey of (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine?
The InChIKey is MKVGLAUBFNQTJL-XOZSZFJZSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-9-10-16-14(12(4)7-2)13(8-3)11-15-5/h6,8-12H,3,7H2,1-2,4-5H3/b9-6-,14-13+,15-11+,16-10+.
What are the key properties of (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine?
(E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine has a molecular weight of 218.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-[(Z)-but-2-enylidene]-2-ethenyl-1-N,4-dimethylhex-2-ene-1,3-diimine is sourced from PubChem (CID 134594116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).