bis(diethylamino)boranylformonitrile

C9H20BN3 — CID 10419791

IUPACbis(diethylamino)boranylformonitrile
SMILESCCN(CC)B(C#N)N(CC)CC
InChIInChI=1S/C9H20BN3/c1-5-12(6-2)10(9-11)13(7-3)8-4/h5-8H2,1-4H3
InChIKeyJIGNFFRWMVUEPG-UHFFFAOYSA-N
MW181.09 g/mol
LogP1.22
Rot. Bonds6

About bis(diethylamino)boranylformonitrile

bis(diethylamino)boranylformonitrile (PubChem CID 10419791) has the molecular formula C9H20BN3 and a molecular weight of 181.09 g/mol. Its IUPAC name is bis(diethylamino)boranylformonitrile.

Molecular Properties

Compound Namebis(diethylamino)boranylformonitrile
PubChem CID10419791
Molecular FormulaC9H20BN3
Molecular Weight181.09 g/mol
Exact Mass181.18
IUPAC Namebis(diethylamino)boranylformonitrile
SMILESCCN(CC)B(C#N)N(CC)CC
InChIInChI=1S/C9H20BN3/c1-5-12(6-2)10(9-11)13(7-3)8-4/h5-8H2,1-4H3
InChIKeyJIGNFFRWMVUEPG-UHFFFAOYSA-N
XLogP1.22
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.09
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(diethylamino)boranylformonitrile?
The IUPAC name of bis(diethylamino)boranylformonitrile (CID 10419791) is bis(diethylamino)boranylformonitrile.
What is the SMILES notation for bis(diethylamino)boranylformonitrile?
The canonical SMILES for bis(diethylamino)boranylformonitrile is CCN(CC)B(C#N)N(CC)CC.
What is the InChIKey of bis(diethylamino)boranylformonitrile?
The InChIKey is JIGNFFRWMVUEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BN3/c1-5-12(6-2)10(9-11)13(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of bis(diethylamino)boranylformonitrile?
bis(diethylamino)boranylformonitrile has a molecular weight of 181.09 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylamino)boranylformonitrile is sourced from PubChem (CID 10419791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).