1-diethylazaniumylideneethyl-diethyl-methylazanium

C11H26N2+2 — CID 91526933

IUPAC1-diethylazaniumylideneethyl-diethyl-methylazanium
SMILESCC[N+](CC)=C(C)[N+](C)(CC)CC
InChIInChI=1S/C11H26N2/c1-7-12(8-2)11(5)13(6,9-3)10-4/h7-10H2,1-6H3/q+2
InChIKeyXAKZNOFETZPRRT-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.94
Rot. Bonds4

About 1-diethylazaniumylideneethyl-diethyl-methylazanium

1-diethylazaniumylideneethyl-diethyl-methylazanium (PubChem CID 91526933) has the molecular formula C11H26N2+2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 1-diethylazaniumylideneethyl-diethyl-methylazanium.

Molecular Properties

Compound Name1-diethylazaniumylideneethyl-diethyl-methylazanium
PubChem CID91526933
Molecular FormulaC11H26N2+2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name1-diethylazaniumylideneethyl-diethyl-methylazanium
SMILESCC[N+](CC)=C(C)[N+](C)(CC)CC
InChIInChI=1S/C11H26N2/c1-7-12(8-2)11(5)13(6,9-3)10-4/h7-10H2,1-6H3/q+2
InChIKeyXAKZNOFETZPRRT-UHFFFAOYSA-N
XLogP1.94
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diethylazaniumylideneethyl-diethyl-methylazanium?
The IUPAC name of 1-diethylazaniumylideneethyl-diethyl-methylazanium (CID 91526933) is 1-diethylazaniumylideneethyl-diethyl-methylazanium.
What is the SMILES notation for 1-diethylazaniumylideneethyl-diethyl-methylazanium?
The canonical SMILES for 1-diethylazaniumylideneethyl-diethyl-methylazanium is CC[N+](CC)=C(C)[N+](C)(CC)CC.
What is the InChIKey of 1-diethylazaniumylideneethyl-diethyl-methylazanium?
The InChIKey is XAKZNOFETZPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-7-12(8-2)11(5)13(6,9-3)10-4/h7-10H2,1-6H3/q+2.
What are the key properties of 1-diethylazaniumylideneethyl-diethyl-methylazanium?
1-diethylazaniumylideneethyl-diethyl-methylazanium has a molecular weight of 186.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethylazaniumylideneethyl-diethyl-methylazanium is sourced from PubChem (CID 91526933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).