diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium

C15H20N+ — CID 18692736

IUPACdiethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESC=C/C=C/C=C1C=CC(=[N+](CC)CC)C=C1
InChIInChI=1S/C15H20N/c1-4-7-8-9-14-10-12-15(13-11-14)16(5-2)6-3/h4,7-13H,1,5-6H2,2-3H3/q+1/b8-7+
InChIKeyJXZKZVXMGOCOEY-BQYQJAHWSA-N
MW214.33 g/mol
LogP3.27
Rot. Bonds4

About diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium

diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium (PubChem CID 18692736) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium.

Molecular Properties

Compound Namediethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
PubChem CID18692736
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Namediethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium
SMILESC=C/C=C/C=C1C=CC(=[N+](CC)CC)C=C1
InChIInChI=1S/C15H20N/c1-4-7-8-9-14-10-12-15(13-11-14)16(5-2)6-3/h4,7-13H,1,5-6H2,2-3H3/q+1/b8-7+
InChIKeyJXZKZVXMGOCOEY-BQYQJAHWSA-N
XLogP3.27
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl-(4-propan-2-ylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 101015672
(4-Cyclohepta-2,4,6-trien-1-ylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium perchlorate
CID 10979801
N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 20672937
Diethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 21097600
N-methyl-4-[2-(1-methyl-4-pyridinylidene)ethylidene]cyclohexa-2,5-dien-1-imine
CID 53800904
(4-Methanidylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 57880709
4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
CID 59057512
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-dipropylazanium
CID 59057566
(2-Chloro-4-methylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
CID 59057615
6-Ethenyl-1-ethyl-3,4-dimethyl-2,5-dihydropyridin-1-ium-2,5-diide;rhenium;rubidium(1+)
CID 59339957

Frequently Asked Questions

What is the IUPAC name of diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The IUPAC name of diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium (CID 18692736) is diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium.
What is the SMILES notation for diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The canonical SMILES for diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium is C=C/C=C/C=C1C=CC(=[N+](CC)CC)C=C1.
What is the InChIKey of diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
The InChIKey is JXZKZVXMGOCOEY-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H20N/c1-4-7-8-9-14-10-12-15(13-11-14)16(5-2)6-3/h4,7-13H,1,5-6H2,2-3H3/q+1/b8-7+.
What are the key properties of diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium?
diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium has a molecular weight of 214.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[4-[(2E)-penta-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]azanium is sourced from PubChem (CID 18692736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).