[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium

C12H22N+ — CID 166446028

IUPAC[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium
SMILESCC[N+](CC)=C1/C=C\CCCCC1
InChIInChI=1S/C12H22N/c1-3-13(4-2)12-10-8-6-5-7-9-11-12/h8,10H,3-7,9,11H2,1-2H3/q+1/b10-8-
InChIKeyJRJYMLVOIYQEES-NTMALXAHSA-N
MW180.31 g/mol
LogP3.00
Rot. Bonds2

About [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium

[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium (PubChem CID 166446028) has the molecular formula C12H22N+ and a molecular weight of 180.31 g/mol. Its IUPAC name is [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium.

Molecular Properties

Compound Name[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium
PubChem CID166446028
Molecular FormulaC12H22N+
Molecular Weight180.31 g/mol
Exact Mass180.17
IUPAC Name[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium
SMILESCC[N+](CC)=C1/C=C\CCCCC1
InChIInChI=1S/C12H22N/c1-3-13(4-2)12-10-8-6-5-7-9-11-12/h8,10H,3-7,9,11H2,1-2H3/q+1/b10-8-
InChIKeyJRJYMLVOIYQEES-NTMALXAHSA-N
XLogP3.00
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Koreenceine A
CID 146683591
5-undec-10-enyl-2H-pyrrole
CID 54135361
5-nonyl-2H-pyrrole
CID 67015272
5-hexyl-2H-pyrrole
CID 67711414
N-methyldodec-2-en-4-imine
CID 123853785
2-[(Z)-prop-1-enyl]-1-azacyclododecene
CID 124128225
5-tridecyl-2H-pyrrole
CID 140967565
5-dodecyl-2H-pyrrole
CID 140967571
5-undecyl-2H-pyrrole
CID 140967572
10-[(E)-prop-1-enyl]-2,3,4,5,6,7,8,9-octahydroazecine
CID 154933342
2-[(E)-prop-1-enyl]-1-azacyclododecene
CID 156343471
9-[(E)-prop-1-enyl]-3,4,5,6,7,8-hexahydro-2H-azonine
CID 156426426

Frequently Asked Questions

What is the IUPAC name of [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium?
The IUPAC name of [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium (CID 166446028) is [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium.
What is the SMILES notation for [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium?
The canonical SMILES for [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium is CC[N+](CC)=C1/C=C\CCCCC1.
What is the InChIKey of [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium?
The InChIKey is JRJYMLVOIYQEES-NTMALXAHSA-N. The full InChI is InChI=1S/C12H22N/c1-3-13(4-2)12-10-8-6-5-7-9-11-12/h8,10H,3-7,9,11H2,1-2H3/q+1/b10-8-.
What are the key properties of [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium?
[(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium has a molecular weight of 180.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-cyclooct-2-en-1-ylidene]-diethylazanium is sourced from PubChem (CID 166446028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).