3-iminopropyl(triphenyl)phosphanium

C21H21NP+ — CID 130252871

IUPAC3-iminopropyl(triphenyl)phosphanium
SMILES[H]/N=C/CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-17,22H,10,18H2/q+1/b22-17+
InChIKeyQMEYGYFNZAHVIY-OQKWZONESA-N
MW318.38 g/mol
LogP4.02
Rot. Bonds6

About 3-iminopropyl(triphenyl)phosphanium

3-iminopropyl(triphenyl)phosphanium (PubChem CID 130252871) has the molecular formula C21H21NP+ and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-iminopropyl(triphenyl)phosphanium.

Molecular Properties

Compound Name3-iminopropyl(triphenyl)phosphanium
PubChem CID130252871
Molecular FormulaC21H21NP+
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-iminopropyl(triphenyl)phosphanium
SMILES[H]/N=C/CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-17,22H,10,18H2/q+1/b22-17+
InChIKeyQMEYGYFNZAHVIY-OQKWZONESA-N
XLogP4.02
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
CID 15529550
[(Z)-hex-3-enyl]-triphenylphosphanium
CID 10993587
hex-3-enyl(triphenyl)phosphanium
CID 73026873
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
CID 10099245
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189
5-methoxy-5-phenylpentan-1-imine
CID 54208453
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930

Frequently Asked Questions

What is the IUPAC name of 3-iminopropyl(triphenyl)phosphanium?
The IUPAC name of 3-iminopropyl(triphenyl)phosphanium (CID 130252871) is 3-iminopropyl(triphenyl)phosphanium.
What is the SMILES notation for 3-iminopropyl(triphenyl)phosphanium?
The canonical SMILES for 3-iminopropyl(triphenyl)phosphanium is [H]/N=C/CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-iminopropyl(triphenyl)phosphanium?
The InChIKey is QMEYGYFNZAHVIY-OQKWZONESA-N. The full InChI is InChI=1S/C21H21NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-17,22H,10,18H2/q+1/b22-17+.
What are the key properties of 3-iminopropyl(triphenyl)phosphanium?
3-iminopropyl(triphenyl)phosphanium has a molecular weight of 318.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminopropyl(triphenyl)phosphanium is sourced from PubChem (CID 130252871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).