3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide

C23H28Br2NP — CID 23651404

IUPAC3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide
SMILESBr.CN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1
InChIKeyNEQVFHFOWYYPBS-UHFFFAOYSA-M
MW509.27 g/mol
LogP1.51
Rot. Bonds7

About 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide

3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide (PubChem CID 23651404) has the molecular formula C23H28Br2NP and a molecular weight of 509.27 g/mol. Its IUPAC name is 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide.

Molecular Properties

Compound Name3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide
PubChem CID23651404
Molecular FormulaC23H28Br2NP
Molecular Weight509.27 g/mol
Exact Mass507.03
IUPAC Name3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide
SMILESBr.CN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1
InChIKeyNEQVFHFOWYYPBS-UHFFFAOYSA-M
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide?
The IUPAC name of 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide (CID 23651404) is 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide.
What is the SMILES notation for 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide?
The canonical SMILES for 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide is Br.CN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide?
The InChIKey is NEQVFHFOWYYPBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H27NP.2BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;;/h3-11,13-18H,12,19-20H2,1-2H3;2*1H/q+1;;/p-1.
What are the key properties of 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide?
3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide has a molecular weight of 509.27 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl-triphenylphosphanium;bromide;hydrobromide is sourced from PubChem (CID 23651404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).