[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium

C26H31NOP+ — CID 118603839

IUPAC[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
SMILESCCNC(=O)CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30NOP/c1-2-27-26(28)21-13-6-14-22-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-5-12-20-25/h3-5,7-12,15-20H,2,6,13-14,21-22H2,1H3/p+1
InChIKeyXXFCZYFJQMEHEO-UHFFFAOYSA-O
MW404.51 g/mol
LogP4.68
Rot. Bonds10

About [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium

[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium (PubChem CID 118603839) has the molecular formula C26H31NOP+ and a molecular weight of 404.51 g/mol. Its IUPAC name is [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium.

Molecular Properties

Compound Name[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
PubChem CID118603839
Molecular FormulaC26H31NOP+
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
SMILESCCNC(=O)CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30NOP/c1-2-27-26(28)21-13-6-14-22-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-5-12-20-25/h3-5,7-12,15-20H,2,6,13-14,21-22H2,1H3/p+1
InChIKeyXXFCZYFJQMEHEO-UHFFFAOYSA-O
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.68
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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Related Compounds

2-diphenylphosphanylethyl-[5-(ethylamino)-5-oxopentyl]-diphenylphosphanium
CID 58362009
N-ethyl-6-phenylhexanamide
CID 70953257
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
bromomethane;6-carboxyhexyl(triphenyl)phosphanium
CID 177012688
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(6-ethoxy-6-oxohexyl)-triphenylphosphanium
CID 10345272
N,N'-diethylnonanediamide
CID 89048639
(5-benzamido-5-oxopentyl)-triphenylphosphanium
CID 19608851
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium?
The IUPAC name of [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium (CID 118603839) is [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium.
What is the SMILES notation for [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium?
The canonical SMILES for [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium is CCNC(=O)CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium?
The InChIKey is XXFCZYFJQMEHEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H30NOP/c1-2-27-26(28)21-13-6-14-22-29(23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-5-12-20-25/h3-5,7-12,15-20H,2,6,13-14,21-22H2,1H3/p+1.
What are the key properties of [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium?
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium has a molecular weight of 404.51 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)-6-oxohexyl]-triphenylphosphanium is sourced from PubChem (CID 118603839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).