[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium

C25H29NOP+ — CID 58362006

IUPAC[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium
SMILESCCNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOP/c1-2-26-25(27)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,2,12-13,20-21H2,1H3/p+1
InChIKeyFZEVUWGHNYLXQW-UHFFFAOYSA-O
MW390.49 g/mol
LogP4.29
Rot. Bonds9

About [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium

[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium (PubChem CID 58362006) has the molecular formula C25H29NOP+ and a molecular weight of 390.49 g/mol. Its IUPAC name is [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium.

Molecular Properties

Compound Name[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium
PubChem CID58362006
Molecular FormulaC25H29NOP+
Molecular Weight390.49 g/mol
Exact Mass390.20
IUPAC Name[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium
SMILESCCNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOP/c1-2-26-25(27)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,2,12-13,20-21H2,1H3/p+1
InChIKeyFZEVUWGHNYLXQW-UHFFFAOYSA-O
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium?
The IUPAC name of [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium (CID 58362006) is [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium.
What is the SMILES notation for [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium?
The canonical SMILES for [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium is CCNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium?
The InChIKey is FZEVUWGHNYLXQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H28NOP/c1-2-26-25(27)20-12-13-21-28(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-11,14-19H,2,12-13,20-21H2,1H3/p+1.
What are the key properties of [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium?
[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium has a molecular weight of 390.49 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium is sourced from PubChem (CID 58362006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).