tetracyanoboranuide;triethyl(methyl)azanium

C11H18BN5 — CID 87321369

IUPACtetracyanoboranuide;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C7H18N.C4BN4/c1-5-8(4,6-2)7-3;6-1-5(2-7,3-8)4-9/h5-7H2,1-4H3;/q+1;-1
InChIKeyDSYXPGFFTQBPBM-UHFFFAOYSA-N
MW231.11 g/mol
LogP1.18
Rot. Bonds3

About tetracyanoboranuide;triethyl(methyl)azanium

tetracyanoboranuide;triethyl(methyl)azanium (PubChem CID 87321369) has the molecular formula C11H18BN5 and a molecular weight of 231.11 g/mol. Its IUPAC name is tetracyanoboranuide;triethyl(methyl)azanium.

Molecular Properties

Compound Nametetracyanoboranuide;triethyl(methyl)azanium
PubChem CID87321369
Molecular FormulaC11H18BN5
Molecular Weight231.11 g/mol
Exact Mass231.17
IUPAC Nametetracyanoboranuide;triethyl(methyl)azanium
SMILESCC[N+](C)(CC)CC.N#C[B-](C#N)(C#N)C#N
InChIInChI=1S/C7H18N.C4BN4/c1-5-8(4,6-2)7-3;6-1-5(2-7,3-8)4-9/h5-7H2,1-4H3;/q+1;-1
InChIKeyDSYXPGFFTQBPBM-UHFFFAOYSA-N
XLogP1.18
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 51.18
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;triethyl(methyl)azanium?
The IUPAC name of tetracyanoboranuide;triethyl(methyl)azanium (CID 87321369) is tetracyanoboranuide;triethyl(methyl)azanium.
What is the SMILES notation for tetracyanoboranuide;triethyl(methyl)azanium?
The canonical SMILES for tetracyanoboranuide;triethyl(methyl)azanium is CC[N+](C)(CC)CC.N#C[B-](C#N)(C#N)C#N.
What is the InChIKey of tetracyanoboranuide;triethyl(methyl)azanium?
The InChIKey is DSYXPGFFTQBPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.C4BN4/c1-5-8(4,6-2)7-3;6-1-5(2-7,3-8)4-9/h5-7H2,1-4H3;/q+1;-1.
What are the key properties of tetracyanoboranuide;triethyl(methyl)azanium?
tetracyanoboranuide;triethyl(methyl)azanium has a molecular weight of 231.11 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyanoboranuide;triethyl(methyl)azanium is sourced from PubChem (CID 87321369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).