2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine

C11H16N2 — CID 135207833

IUPAC2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine
SMILESC=CC(/C=C\C)=C(/C=N/C)/C=N/C
InChIInChI=1S/C11H16N2/c1-5-7-10(6-2)11(8-12-3)9-13-4/h5-9H,2H2,1,3-4H3/b7-5-,12-8+,13-9+
InChIKeyZDQKZIPAOZGBQV-NODAKIKZSA-N
MW176.26 g/mol
LogP2.45
Rot. Bonds4

About 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine

2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine (PubChem CID 135207833) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine.

Molecular Properties

Compound Name2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine
PubChem CID135207833
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine
SMILESC=CC(/C=C\C)=C(/C=N/C)/C=N/C
InChIInChI=1S/C11H16N2/c1-5-7-10(6-2)11(8-12-3)9-13-4/h5-9H,2H2,1,3-4H3/b7-5-,12-8+,13-9+
InChIKeyZDQKZIPAOZGBQV-NODAKIKZSA-N
XLogP2.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.45
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

(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 146667427
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
(5Z,7E,9E)-9-(1-fluoroethyl)-4-methyl-6-(methyliminomethyl)dodeca-3,5,7,9-tetraenenitrile
CID 155442333
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
(E,2Z)-2-ethylidene-N-[(Z)-1-fluoro-2-methylbut-1-enyl]-3-methylhept-3-en-1-imine
CID 173807900
N-[(3Z,5Z)-4-fluoro-3-methylocta-3,5-dienyl]-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 174262416
(E)-N-tert-butyl-2-methylpent-2-en-1-imine
CID 10582977
2-methyl-2-pentenal N-allylimine
CID 129747538
N-(2-ethyl-2-hexenylidene)propylamine
CID 129806324
[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
CID 134892281

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine?
The IUPAC name of 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine (CID 135207833) is 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine.
What is the SMILES notation for 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine?
The canonical SMILES for 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine is C=CC(/C=C\C)=C(/C=N/C)/C=N/C.
What is the InChIKey of 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine?
The InChIKey is ZDQKZIPAOZGBQV-NODAKIKZSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-7-10(6-2)11(8-12-3)9-13-4/h5-9H,2H2,1,3-4H3/b7-5-,12-8+,13-9+.
What are the key properties of 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine?
2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine has a molecular weight of 176.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-hexa-1,4-dien-3-ylidene]-N,N'-dimethylpropane-1,3-diimine is sourced from PubChem (CID 135207833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).