bromo-tris(dimethylamino)phosphanium

C6H18BrN3P+ — CID 5057618

IUPACbromo-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](Br)(N(C)C)N(C)C
InChIInChI=1S/C6H18BrN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3/q+1
InChIKeyGQKVINJBYYRJRF-UHFFFAOYSA-N
MW243.11 g/mol
LogP1.74
Rot. Bonds3

About bromo-tris(dimethylamino)phosphanium

bromo-tris(dimethylamino)phosphanium (PubChem CID 5057618) has the molecular formula C6H18BrN3P+ and a molecular weight of 243.11 g/mol. Its IUPAC name is bromo-tris(dimethylamino)phosphanium.

Molecular Properties

Compound Namebromo-tris(dimethylamino)phosphanium
PubChem CID5057618
Molecular FormulaC6H18BrN3P+
Molecular Weight243.11 g/mol
Exact Mass242.04
IUPAC Namebromo-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](Br)(N(C)C)N(C)C
InChIInChI=1S/C6H18BrN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3/q+1
InChIKeyGQKVINJBYYRJRF-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo-tris(dimethylamino)phosphanium?
The IUPAC name of bromo-tris(dimethylamino)phosphanium (CID 5057618) is bromo-tris(dimethylamino)phosphanium.
What is the SMILES notation for bromo-tris(dimethylamino)phosphanium?
The canonical SMILES for bromo-tris(dimethylamino)phosphanium is CN(C)[P+](Br)(N(C)C)N(C)C.
What is the InChIKey of bromo-tris(dimethylamino)phosphanium?
The InChIKey is GQKVINJBYYRJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18BrN3P/c1-8(2)11(7,9(3)4)10(5)6/h1-6H3/q+1.
What are the key properties of bromo-tris(dimethylamino)phosphanium?
bromo-tris(dimethylamino)phosphanium has a molecular weight of 243.11 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-tris(dimethylamino)phosphanium is sourced from PubChem (CID 5057618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).