3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine

C12H18N2 — CID 90957874

IUPAC3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
SMILESC=CC(=C/C=N/C)/C(C=CCC)=N/C
InChIInChI=1S/C12H18N2/c1-5-7-8-12(14-4)11(6-2)9-10-13-3/h6-10H,2,5H2,1,3-4H3/b8-7?,11-9?,13-10+,14-12+
InChIKeyNFGMFFXPLAALOJ-DTFUOQQZSA-N
MW190.29 g/mol
LogP2.84
Rot. Bonds5

About 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine

3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine (PubChem CID 90957874) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
PubChem CID90957874
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine
SMILESC=CC(=C/C=N/C)/C(C=CCC)=N/C
InChIInChI=1S/C12H18N2/c1-5-7-8-12(14-4)11(6-2)9-10-13-3/h6-10H,2,5H2,1,3-4H3/b8-7?,11-9?,13-10+,14-12+
InChIKeyNFGMFFXPLAALOJ-DTFUOQQZSA-N
XLogP2.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.84
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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CID 21162934
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CID 163590444
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
CID 101338172
1,5-Benzodiazocine
CID 23633143
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CID 129670590
lithium N-tert-butyl-1-[3-(tert-butyliminomethyl)benzene-2-id-1-yl]methanimine
CID 138967381
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905
(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-acetonitrile
CID 5371973
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane
CID 53727885

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine?
The IUPAC name of 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine (CID 90957874) is 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine.
What is the SMILES notation for 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine?
The canonical SMILES for 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine is C=CC(=C/C=N/C)/C(C=CCC)=N/C.
What is the InChIKey of 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine?
The InChIKey is NFGMFFXPLAALOJ-DTFUOQQZSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-7-8-12(14-4)11(6-2)9-10-13-3/h6-10H,2,5H2,1,3-4H3/b8-7?,11-9?,13-10+,14-12+.
What are the key properties of 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine?
3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine has a molecular weight of 190.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-N,4-N-dimethylocta-2,5-diene-1,4-diimine is sourced from PubChem (CID 90957874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).