tris(dipropylamino)-ethylphosphanium

C20H47N3P+ — CID 3090767

IUPACtris(dipropylamino)-ethylphosphanium
SMILESCCCN(CCC)[P+](CC)(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C20H47N3P/c1-8-15-21(16-9-2)24(14-7,22(17-10-3)18-11-4)23(19-12-5)20-13-6/h8-20H2,1-7H3/q+1
InChIKeyMUCNTDNNNFCWFT-UHFFFAOYSA-N
MW360.59 g/mol
LogP6.13
Rot. Bonds16

About tris(dipropylamino)-ethylphosphanium

tris(dipropylamino)-ethylphosphanium (PubChem CID 3090767) has the molecular formula C20H47N3P+ and a molecular weight of 360.59 g/mol. Its IUPAC name is tris(dipropylamino)-ethylphosphanium.

Molecular Properties

Compound Nametris(dipropylamino)-ethylphosphanium
PubChem CID3090767
Molecular FormulaC20H47N3P+
Molecular Weight360.59 g/mol
Exact Mass360.35
IUPAC Nametris(dipropylamino)-ethylphosphanium
SMILESCCCN(CCC)[P+](CC)(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C20H47N3P/c1-8-15-21(16-9-2)24(14-7,22(17-10-3)18-11-4)23(19-12-5)20-13-6/h8-20H2,1-7H3/q+1
InChIKeyMUCNTDNNNFCWFT-UHFFFAOYSA-N
XLogP6.13
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(dipropylamino)-ethylphosphanium?
The IUPAC name of tris(dipropylamino)-ethylphosphanium (CID 3090767) is tris(dipropylamino)-ethylphosphanium.
What is the SMILES notation for tris(dipropylamino)-ethylphosphanium?
The canonical SMILES for tris(dipropylamino)-ethylphosphanium is CCCN(CCC)[P+](CC)(N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of tris(dipropylamino)-ethylphosphanium?
The InChIKey is MUCNTDNNNFCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47N3P/c1-8-15-21(16-9-2)24(14-7,22(17-10-3)18-11-4)23(19-12-5)20-13-6/h8-20H2,1-7H3/q+1.
What are the key properties of tris(dipropylamino)-ethylphosphanium?
tris(dipropylamino)-ethylphosphanium has a molecular weight of 360.59 g/mol, XLogP of 6.13, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dipropylamino)-ethylphosphanium is sourced from PubChem (CID 3090767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).