(5-amino-5-oxopentyl)-triphenylphosphanium bromide

C23H25BrNOP — CID 90674646

IUPAC(5-amino-5-oxopentyl)-triphenylphosphanium bromide
SMILESNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H24NOP.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2,(H-,24,25);1H
InChIKeyUANTZJVINAWBHN-UHFFFAOYSA-N
MW442.34 g/mol
LogP0.64
Rot. Bonds8

About (5-amino-5-oxopentyl)-triphenylphosphanium bromide

(5-amino-5-oxopentyl)-triphenylphosphanium bromide (PubChem CID 90674646) has the molecular formula C23H25BrNOP and a molecular weight of 442.34 g/mol. Its IUPAC name is (5-amino-5-oxopentyl)-triphenylphosphanium bromide.

Molecular Properties

Compound Name(5-amino-5-oxopentyl)-triphenylphosphanium bromide
PubChem CID90674646
Molecular FormulaC23H25BrNOP
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC Name(5-amino-5-oxopentyl)-triphenylphosphanium bromide
SMILESNC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H24NOP.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2,(H-,24,25);1H
InChIKeyUANTZJVINAWBHN-UHFFFAOYSA-N
XLogP0.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 50.64
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-amino-5-oxopentyl)-triphenylphosphanium bromide?
The IUPAC name of (5-amino-5-oxopentyl)-triphenylphosphanium bromide (CID 90674646) is (5-amino-5-oxopentyl)-triphenylphosphanium bromide.
What is the SMILES notation for (5-amino-5-oxopentyl)-triphenylphosphanium bromide?
The canonical SMILES for (5-amino-5-oxopentyl)-triphenylphosphanium bromide is NC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of (5-amino-5-oxopentyl)-triphenylphosphanium bromide?
The InChIKey is UANTZJVINAWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NOP.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2,(H-,24,25);1H.
What are the key properties of (5-amino-5-oxopentyl)-triphenylphosphanium bromide?
(5-amino-5-oxopentyl)-triphenylphosphanium bromide has a molecular weight of 442.34 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-5-oxopentyl)-triphenylphosphanium bromide is sourced from PubChem (CID 90674646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).