N'-ethylidenepenta-2,4-diene-1,5-diimine

C7H10N2 — CID 123269534

IUPACN'-ethylidenepenta-2,4-diene-1,5-diimine
SMILES[H]/N=C/C=CC=C/N=C/C
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h2-8H,1H3/b4-3?,7-5?,8-6+,9-2+
InChIKeyJEXOUVXXESTGJB-DTLCKTOMSA-N
MW122.17 g/mol
LogP1.80
Rot. Bonds3

About N'-ethylidenepenta-2,4-diene-1,5-diimine

N'-ethylidenepenta-2,4-diene-1,5-diimine (PubChem CID 123269534) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is N'-ethylidenepenta-2,4-diene-1,5-diimine.

Molecular Properties

Compound NameN'-ethylidenepenta-2,4-diene-1,5-diimine
PubChem CID123269534
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC NameN'-ethylidenepenta-2,4-diene-1,5-diimine
SMILES[H]/N=C/C=CC=C/N=C/C
InChIInChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h2-8H,1H3/b4-3?,7-5?,8-6+,9-2+
InChIKeyJEXOUVXXESTGJB-DTLCKTOMSA-N
XLogP1.80
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

Penta-1,3-diene, 1-ethylamino-5-ethylimino-
CID 74051061
4H-pyridin-1-ium-4-ide
CID 59164064
1,10-Diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 91177215
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
N-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-N-methylmethanaminium
CID 638325
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
[(2E,4E,6E)-7-(dimethylamino)hepta-2,4,6-trienylidene]-dimethylazanium
CID 13081060
7-(Dimethylamino)hepta-2,4,6-trienylidene-dimethylazanium
CID 23278995
Aza[14]annulene
CID 12588520
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
1,7-Diazacyclododeca-1,3,5,7,9,11-hexaene
CID 91264072
Bis(imino)-pyridyl chromium(III)
CID 129822403

Frequently Asked Questions

What is the IUPAC name of N'-ethylidenepenta-2,4-diene-1,5-diimine?
The IUPAC name of N'-ethylidenepenta-2,4-diene-1,5-diimine (CID 123269534) is N'-ethylidenepenta-2,4-diene-1,5-diimine.
What is the SMILES notation for N'-ethylidenepenta-2,4-diene-1,5-diimine?
The canonical SMILES for N'-ethylidenepenta-2,4-diene-1,5-diimine is [H]/N=C/C=CC=C/N=C/C.
What is the InChIKey of N'-ethylidenepenta-2,4-diene-1,5-diimine?
The InChIKey is JEXOUVXXESTGJB-DTLCKTOMSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-9-7-5-3-4-6-8/h2-8H,1H3/b4-3?,7-5?,8-6+,9-2+.
What are the key properties of N'-ethylidenepenta-2,4-diene-1,5-diimine?
N'-ethylidenepenta-2,4-diene-1,5-diimine has a molecular weight of 122.17 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylidenepenta-2,4-diene-1,5-diimine is sourced from PubChem (CID 123269534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).