cyano(triethyl)boranuide

C7H15BN- — CID 15150971

IUPACcyano(triethyl)boranuide
SMILESCC[B-](C#N)(CC)CC
InChIInChI=1S/C7H15BN/c1-4-8(5-2,6-3)7-9/h4-6H2,1-3H3/q-1
InChIKeyWFGMGKKRQBBZHR-UHFFFAOYSA-N
MW124.02 g/mol
LogP2.56
Rot. Bonds3

About cyano(triethyl)boranuide

cyano(triethyl)boranuide (PubChem CID 15150971) has the molecular formula C7H15BN- and a molecular weight of 124.02 g/mol. Its IUPAC name is cyano(triethyl)boranuide.

Molecular Properties

Compound Namecyano(triethyl)boranuide
PubChem CID15150971
Molecular FormulaC7H15BN-
Molecular Weight124.02 g/mol
Exact Mass124.13
IUPAC Namecyano(triethyl)boranuide
SMILESCC[B-](C#N)(CC)CC
InChIInChI=1S/C7H15BN/c1-4-8(5-2,6-3)7-9/h4-6H2,1-3H3/q-1
InChIKeyWFGMGKKRQBBZHR-UHFFFAOYSA-N
XLogP2.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.02
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethylphosphanium;tetracyanoboranuide
CID 90426635
propanenitrile bromide
CID 19792087
triethyl(3-methoxyprop-1-ynyl)boranuide
CID 134890673
butane;propanenitrile
CID 174979809
(2S)-2-deuteriopropanenitrile
CID 136728619
formonitrile;propanenitrile
CID 174670578
tetrabutylphosphanium;tetracyanoboranuide
CID 87443480
ethoxyphosphanylformonitrile
CID 54051630
2-chloro-2-cyclopropylbutanenitrile
CID 64919362
ethanol;propanenitrile;hydrate
CID 158101075
acetonitrile;azane;ethanol;hydrate
CID 173069491
acetonitrile;ethanamine;hydrochloride
CID 159166208

Frequently Asked Questions

What is the IUPAC name of cyano(triethyl)boranuide?
The IUPAC name of cyano(triethyl)boranuide (CID 15150971) is cyano(triethyl)boranuide.
What is the SMILES notation for cyano(triethyl)boranuide?
The canonical SMILES for cyano(triethyl)boranuide is CC[B-](C#N)(CC)CC.
What is the InChIKey of cyano(triethyl)boranuide?
The InChIKey is WFGMGKKRQBBZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15BN/c1-4-8(5-2,6-3)7-9/h4-6H2,1-3H3/q-1.
What are the key properties of cyano(triethyl)boranuide?
cyano(triethyl)boranuide has a molecular weight of 124.02 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(triethyl)boranuide is sourced from PubChem (CID 15150971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).