(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine

C13H20N2 — CID 123747560

IUPAC(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine
SMILESC=C/C(C(=C)C)=C(/N=C/C)C(\CC)=N\C
InChIInChI=1S/C13H20N2/c1-7-11(10(4)5)13(15-9-3)12(8-2)14-6/h7,9H,1,4,8H2,2-3,5-6H3/b13-11-,14-12+,15-9+
InChIKeyPJTVBTDJAATXBG-ZKTKIUAPSA-N
MW204.32 g/mol
LogP3.57
Rot. Bonds5

About (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine

(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine (PubChem CID 123747560) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine.

Molecular Properties

Compound Name(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine
PubChem CID123747560
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine
SMILESC=C/C(C(=C)C)=C(/N=C/C)C(\CC)=N\C
InChIInChI=1S/C13H20N2/c1-7-11(10(4)5)13(15-9-3)12(8-2)14-6/h7,9H,1,4,8H2,2-3,5-6H3/b13-11-,14-12+,15-9+
InChIKeyPJTVBTDJAATXBG-ZKTKIUAPSA-N
XLogP3.57
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.57
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine?
The IUPAC name of (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine (CID 123747560) is (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine.
What is the SMILES notation for (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine?
The canonical SMILES for (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine is C=C/C(C(=C)C)=C(/N=C/C)C(\CC)=N\C.
What is the InChIKey of (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine?
The InChIKey is PJTVBTDJAATXBG-ZKTKIUAPSA-N. The full InChI is InChI=1S/C13H20N2/c1-7-11(10(4)5)13(15-9-3)12(8-2)14-6/h7,9H,1,4,8H2,2-3,5-6H3/b13-11-,14-12+,15-9+.
What are the key properties of (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine?
(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine has a molecular weight of 204.32 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine is sourced from PubChem (CID 123747560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).