tetracyanoboranuide;tetrapropylazanium

C16H28BN5 — CID 87247298

IUPACtetracyanoboranuide;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C12H28N.C4BN4/c1-5-9-13(10-6-2,11-7-3)12-8-4;6-1-5(2-7,3-8)4-9/h5-12H2,1-4H3;/q+1;-1
InChIKeyKWOYDXOYCVXQGT-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.13
Rot. Bonds8

About tetracyanoboranuide;tetrapropylazanium

tetracyanoboranuide;tetrapropylazanium (PubChem CID 87247298) has the molecular formula C16H28BN5 and a molecular weight of 301.25 g/mol. Its IUPAC name is tetracyanoboranuide;tetrapropylazanium.

Molecular Properties

Compound Nametetracyanoboranuide;tetrapropylazanium
PubChem CID87247298
Molecular FormulaC16H28BN5
Molecular Weight301.25 g/mol
Exact Mass301.24
IUPAC Nametetracyanoboranuide;tetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C12H28N.C4BN4/c1-5-9-13(10-6-2,11-7-3)12-8-4;6-1-5(2-7,3-8)4-9/h5-12H2,1-4H3;/q+1;-1
InChIKeyKWOYDXOYCVXQGT-UHFFFAOYSA-N
XLogP3.13
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.13
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 tetracyanoboranuide;tetrapropylazanium?
The IUPAC name of tetracyanoboranuide;tetrapropylazanium (CID 87247298) is tetracyanoboranuide;tetrapropylazanium.
What is the SMILES notation for tetracyanoboranuide;tetrapropylazanium?
The canonical SMILES for tetracyanoboranuide;tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.N#C[B-](C#N)(C#N)C#N.
What is the InChIKey of tetracyanoboranuide;tetrapropylazanium?
The InChIKey is KWOYDXOYCVXQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N.C4BN4/c1-5-9-13(10-6-2,11-7-3)12-8-4;6-1-5(2-7,3-8)4-9/h5-12H2,1-4H3;/q+1;-1.
What are the key properties of tetracyanoboranuide;tetrapropylazanium?
tetracyanoboranuide;tetrapropylazanium has a molecular weight of 301.25 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyanoboranuide;tetrapropylazanium is sourced from PubChem (CID 87247298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).