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

C25H29BrNOP — CID 87300218

IUPAC[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide
SMILESCCNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C25H28NOP.BrH/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;1H
InChIKeyAGIMDSXEQYKHQU-UHFFFAOYSA-N
MW470.39 g/mol
LogP1.29
Rot. Bonds9

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

[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide (PubChem CID 87300218) has the molecular formula C25H29BrNOP and a molecular weight of 470.39 g/mol. Its IUPAC name is [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide.

Molecular Properties

Compound Name[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide
PubChem CID87300218
Molecular FormulaC25H29BrNOP
Molecular Weight470.39 g/mol
Exact Mass469.12
IUPAC Name[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide
SMILESCCNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C25H28NOP.BrH/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;1H
InChIKeyAGIMDSXEQYKHQU-UHFFFAOYSA-N
XLogP1.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.39
LogP ≤ 51.29
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 bromide?
The IUPAC name of [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide (CID 87300218) is [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide.
What is the SMILES notation for [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide?
The canonical SMILES for [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide is CCNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide?
The InChIKey is AGIMDSXEQYKHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28NOP.BrH/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;1H.
What are the key properties of [5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide?
[5-(ethylamino)-5-oxopentyl]-triphenylphosphanium bromide has a molecular weight of 470.39 g/mol, XLogP of 1.29, 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 bromide is sourced from PubChem (CID 87300218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).