(dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane

C17H42BF3N4P+ — CID 87654047

IUPAC(dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane
SMILESCCCCN(CCCC)[P+](N(C)CC)(N(C)CC)N(C)CC.FB(F)F
InChIInChI=1S/C17H42N4P.BF3/c1-9-14-16-21(17-15-10-2)22(18(6)11-3,19(7)12-4)20(8)13-5;2-1(3)4/h9-17H2,1-8H3;/q+1;
InChIKeyBTCJGWMFGJMUKT-UHFFFAOYSA-N
MW401.33 g/mol
LogP5.30
Rot. Bonds13

About (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane

(dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane (PubChem CID 87654047) has the molecular formula C17H42BF3N4P+ and a molecular weight of 401.33 g/mol. Its IUPAC name is (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane.

Molecular Properties

Compound Name(dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane
PubChem CID87654047
Molecular FormulaC17H42BF3N4P+
Molecular Weight401.33 g/mol
Exact Mass401.32
IUPAC Name(dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane
SMILESCCCCN(CCCC)[P+](N(C)CC)(N(C)CC)N(C)CC.FB(F)F
InChIInChI=1S/C17H42N4P.BF3/c1-9-14-16-21(17-15-10-2)22(18(6)11-3,19(7)12-4)20(8)13-5;2-1(3)4/h9-17H2,1-8H3;/q+1;
InChIKeyBTCJGWMFGJMUKT-UHFFFAOYSA-N
XLogP5.30
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane?
The IUPAC name of (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane (CID 87654047) is (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane.
What is the SMILES notation for (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane?
The canonical SMILES for (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane is CCCCN(CCCC)[P+](N(C)CC)(N(C)CC)N(C)CC.FB(F)F.
What is the InChIKey of (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane?
The InChIKey is BTCJGWMFGJMUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42N4P.BF3/c1-9-14-16-21(17-15-10-2)22(18(6)11-3,19(7)12-4)20(8)13-5;2-1(3)4/h9-17H2,1-8H3;/q+1;.
What are the key properties of (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane?
(dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane has a molecular weight of 401.33 g/mol, XLogP of 5.30, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (dibutylamino)-tris[ethyl(methyl)amino]phosphanium;trifluoroborane is sourced from PubChem (CID 87654047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).