dicyanoboranuide;tetraethylazanium

C10H22BN3 — CID 90098883

IUPACdicyanoboranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.N#C[BH2-]C#N
InChIInChI=1S/C8H20N.C2H2BN2/c1-5-9(6-2,7-3)8-4;4-1-3-2-5/h5-8H2,1-4H3;3H2/q+1;-1
InChIKeyGWAODBDETUCWCB-UHFFFAOYSA-N
MW195.12 g/mol
LogP1.00
Rot. Bonds4

About dicyanoboranuide;tetraethylazanium

dicyanoboranuide;tetraethylazanium (PubChem CID 90098883) has the molecular formula C10H22BN3 and a molecular weight of 195.12 g/mol. Its IUPAC name is dicyanoboranuide;tetraethylazanium.

Molecular Properties

Compound Namedicyanoboranuide;tetraethylazanium
PubChem CID90098883
Molecular FormulaC10H22BN3
Molecular Weight195.12 g/mol
Exact Mass195.19
IUPAC Namedicyanoboranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.N#C[BH2-]C#N
InChIInChI=1S/C8H20N.C2H2BN2/c1-5-9(6-2,7-3)8-4;4-1-3-2-5/h5-8H2,1-4H3;3H2/q+1;-1
InChIKeyGWAODBDETUCWCB-UHFFFAOYSA-N
XLogP1.00
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dicyanoboranuide;tetraethylazanium?
The IUPAC name of dicyanoboranuide;tetraethylazanium (CID 90098883) is dicyanoboranuide;tetraethylazanium.
What is the SMILES notation for dicyanoboranuide;tetraethylazanium?
The canonical SMILES for dicyanoboranuide;tetraethylazanium is CC[N+](CC)(CC)CC.N#C[BH2-]C#N.
What is the InChIKey of dicyanoboranuide;tetraethylazanium?
The InChIKey is GWAODBDETUCWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C2H2BN2/c1-5-9(6-2,7-3)8-4;4-1-3-2-5/h5-8H2,1-4H3;3H2/q+1;-1.
What are the key properties of dicyanoboranuide;tetraethylazanium?
dicyanoboranuide;tetraethylazanium has a molecular weight of 195.12 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyanoboranuide;tetraethylazanium is sourced from PubChem (CID 90098883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).