benzyl-tris(dimethylamino)phosphanium

C13H25N3P+ — CID 4145839

IUPACbenzyl-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](Cc1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C13H25N3P/c1-14(2)17(15(3)4,16(5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3/q+1
InChIKeyJGTUMZJDTJDJJR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.63
Rot. Bonds5

About benzyl-tris(dimethylamino)phosphanium

benzyl-tris(dimethylamino)phosphanium (PubChem CID 4145839) has the molecular formula C13H25N3P+ and a molecular weight of 254.34 g/mol. Its IUPAC name is benzyl-tris(dimethylamino)phosphanium.

Molecular Properties

Compound Namebenzyl-tris(dimethylamino)phosphanium
PubChem CID4145839
Molecular FormulaC13H25N3P+
Molecular Weight254.34 g/mol
Exact Mass254.18
IUPAC Namebenzyl-tris(dimethylamino)phosphanium
SMILESCN(C)[P+](Cc1ccccc1)(N(C)C)N(C)C
InChIInChI=1S/C13H25N3P/c1-14(2)17(15(3)4,16(5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3/q+1
InChIKeyJGTUMZJDTJDJJR-UHFFFAOYSA-N
XLogP2.63
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.63
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 benzyl-tris(dimethylamino)phosphanium?
The IUPAC name of benzyl-tris(dimethylamino)phosphanium (CID 4145839) is benzyl-tris(dimethylamino)phosphanium.
What is the SMILES notation for benzyl-tris(dimethylamino)phosphanium?
The canonical SMILES for benzyl-tris(dimethylamino)phosphanium is CN(C)[P+](Cc1ccccc1)(N(C)C)N(C)C.
What is the InChIKey of benzyl-tris(dimethylamino)phosphanium?
The InChIKey is JGTUMZJDTJDJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3P/c1-14(2)17(15(3)4,16(5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3/q+1.
What are the key properties of benzyl-tris(dimethylamino)phosphanium?
benzyl-tris(dimethylamino)phosphanium has a molecular weight of 254.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tris(dimethylamino)phosphanium is sourced from PubChem (CID 4145839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).