3-(dimethylamino)propyl-triphenylphosphanium

C23H27NP+ — CID 4186543

IUPAC3-(dimethylamino)propyl-triphenylphosphanium
SMILESCN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NP/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/q+1
InChIKeyGLJPNKPBJUJJRV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.93
Rot. Bonds7

About 3-(dimethylamino)propyl-triphenylphosphanium

3-(dimethylamino)propyl-triphenylphosphanium (PubChem CID 4186543) has the molecular formula C23H27NP+ and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(dimethylamino)propyl-triphenylphosphanium.

Molecular Properties

Compound Name3-(dimethylamino)propyl-triphenylphosphanium
PubChem CID4186543
Molecular FormulaC23H27NP+
Molecular Weight348.45 g/mol
Exact Mass348.19
IUPAC Name3-(dimethylamino)propyl-triphenylphosphanium
SMILESCN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NP/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/q+1
InChIKeyGLJPNKPBJUJJRV-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.93
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?
The IUPAC name of 3-(dimethylamino)propyl-triphenylphosphanium (CID 4186543) is 3-(dimethylamino)propyl-triphenylphosphanium.
What is the SMILES notation for 3-(dimethylamino)propyl-triphenylphosphanium?
The canonical SMILES for 3-(dimethylamino)propyl-triphenylphosphanium is CN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(dimethylamino)propyl-triphenylphosphanium?
The InChIKey is GLJPNKPBJUJJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NP/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/q+1.
What are the key properties of 3-(dimethylamino)propyl-triphenylphosphanium?
3-(dimethylamino)propyl-triphenylphosphanium has a molecular weight of 348.45 g/mol, XLogP of 3.93, 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 is sourced from PubChem (CID 4186543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).