tetraethylazanium;tricyano(methoxy)boranuide

C12H23BN4O — CID 87104934

IUPACtetraethylazanium;tricyano(methoxy)boranuide
SMILESCC[N+](CC)(CC)CC.CO[B-](C#N)(C#N)C#N
InChIInChI=1S/C8H20N.C4H3BN3O/c1-5-9(6-2,7-3)8-4;1-9-5(2-6,3-7)4-8/h5-8H2,1-4H3;1H3/q+1;-1
InChIKeyKXMFIDDDRKZAIB-UHFFFAOYSA-N
MW250.15 g/mol
LogP1.65
Rot. Bonds5

About tetraethylazanium;tricyano(methoxy)boranuide

tetraethylazanium;tricyano(methoxy)boranuide (PubChem CID 87104934) has the molecular formula C12H23BN4O and a molecular weight of 250.15 g/mol. Its IUPAC name is tetraethylazanium;tricyano(methoxy)boranuide.

Molecular Properties

Compound Nametetraethylazanium;tricyano(methoxy)boranuide
PubChem CID87104934
Molecular FormulaC12H23BN4O
Molecular Weight250.15 g/mol
Exact Mass250.20
IUPAC Nametetraethylazanium;tricyano(methoxy)boranuide
SMILESCC[N+](CC)(CC)CC.CO[B-](C#N)(C#N)C#N
InChIInChI=1S/C8H20N.C4H3BN3O/c1-5-9(6-2,7-3)8-4;1-9-5(2-6,3-7)4-8/h5-8H2,1-4H3;1H3/q+1;-1
InChIKeyKXMFIDDDRKZAIB-UHFFFAOYSA-N
XLogP1.65
TPSA80.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetraethylazanium;tricyano(methoxy)boranuide?
The IUPAC name of tetraethylazanium;tricyano(methoxy)boranuide (CID 87104934) is tetraethylazanium;tricyano(methoxy)boranuide.
What is the SMILES notation for tetraethylazanium;tricyano(methoxy)boranuide?
The canonical SMILES for tetraethylazanium;tricyano(methoxy)boranuide is CC[N+](CC)(CC)CC.CO[B-](C#N)(C#N)C#N.
What is the InChIKey of tetraethylazanium;tricyano(methoxy)boranuide?
The InChIKey is KXMFIDDDRKZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C4H3BN3O/c1-5-9(6-2,7-3)8-4;1-9-5(2-6,3-7)4-8/h5-8H2,1-4H3;1H3/q+1;-1.
What are the key properties of tetraethylazanium;tricyano(methoxy)boranuide?
tetraethylazanium;tricyano(methoxy)boranuide has a molecular weight of 250.15 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethylazanium;tricyano(methoxy)boranuide is sourced from PubChem (CID 87104934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).