tris(dimethylamino)phosphaniumylboranuide

C6H21BN3P — CID 101037524

IUPACtris(dimethylamino)phosphaniumylboranuide
SMILES[BH3-][P+](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C6H21BN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-7H3
InChIKeyHXUFPXHRIQVJGB-UHFFFAOYSA-N
MW177.04 g/mol
LogP-0.29
Rot. Bonds3

About tris(dimethylamino)phosphaniumylboranuide

tris(dimethylamino)phosphaniumylboranuide (PubChem CID 101037524) has the molecular formula C6H21BN3P and a molecular weight of 177.04 g/mol. Its IUPAC name is tris(dimethylamino)phosphaniumylboranuide.

Molecular Properties

Compound Nametris(dimethylamino)phosphaniumylboranuide
PubChem CID101037524
Molecular FormulaC6H21BN3P
Molecular Weight177.04 g/mol
Exact Mass177.16
IUPAC Nametris(dimethylamino)phosphaniumylboranuide
SMILES[BH3-][P+](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C6H21BN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-7H3
InChIKeyHXUFPXHRIQVJGB-UHFFFAOYSA-N
XLogP-0.29
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.04
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(dimethylamino)phosphaniumylboranuide?
The IUPAC name of tris(dimethylamino)phosphaniumylboranuide (CID 101037524) is tris(dimethylamino)phosphaniumylboranuide.
What is the SMILES notation for tris(dimethylamino)phosphaniumylboranuide?
The canonical SMILES for tris(dimethylamino)phosphaniumylboranuide is [BH3-][P+](N(C)C)(N(C)C)N(C)C.
What is the InChIKey of tris(dimethylamino)phosphaniumylboranuide?
The InChIKey is HXUFPXHRIQVJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H21BN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-7H3.
What are the key properties of tris(dimethylamino)phosphaniumylboranuide?
tris(dimethylamino)phosphaniumylboranuide has a molecular weight of 177.04 g/mol, XLogP of -0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylamino)phosphaniumylboranuide is sourced from PubChem (CID 101037524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).