bis(dibutylamino)methylidene-dibutylazanium fluoride

C25H54FN3 — CID 11384479

IUPACbis(dibutylamino)methylidene-dibutylazanium fluoride
SMILESCCCCN(CCCC)C(N(CCCC)CCCC)=[N+](CCCC)CCCC.[F-]
InChIInChI=1S/C25H54N3.FH/c1-7-13-19-26(20-14-8-2)25(27(21-15-9-3)22-16-10-4)28(23-17-11-5)24-18-12-6;/h7-24H2,1-6H3;1H/q+1;/p-1
InChIKeyZWPRYVATYZPCDP-UHFFFAOYSA-M
MW415.73 g/mol
LogP3.76
Rot. Bonds18

About bis(dibutylamino)methylidene-dibutylazanium fluoride

bis(dibutylamino)methylidene-dibutylazanium fluoride (PubChem CID 11384479) has the molecular formula C25H54FN3 and a molecular weight of 415.73 g/mol. Its IUPAC name is bis(dibutylamino)methylidene-dibutylazanium fluoride.

Molecular Properties

Compound Namebis(dibutylamino)methylidene-dibutylazanium fluoride
PubChem CID11384479
Molecular FormulaC25H54FN3
Molecular Weight415.73 g/mol
Exact Mass415.43
IUPAC Namebis(dibutylamino)methylidene-dibutylazanium fluoride
SMILESCCCCN(CCCC)C(N(CCCC)CCCC)=[N+](CCCC)CCCC.[F-]
InChIInChI=1S/C25H54N3.FH/c1-7-13-19-26(20-14-8-2)25(27(21-15-9-3)22-16-10-4)28(23-17-11-5)24-18-12-6;/h7-24H2,1-6H3;1H/q+1;/p-1
InChIKeyZWPRYVATYZPCDP-UHFFFAOYSA-M
XLogP3.76
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dibutylamino)methylidene-dibutylazanium fluoride?
The IUPAC name of bis(dibutylamino)methylidene-dibutylazanium fluoride (CID 11384479) is bis(dibutylamino)methylidene-dibutylazanium fluoride.
What is the SMILES notation for bis(dibutylamino)methylidene-dibutylazanium fluoride?
The canonical SMILES for bis(dibutylamino)methylidene-dibutylazanium fluoride is CCCCN(CCCC)C(N(CCCC)CCCC)=[N+](CCCC)CCCC.[F-].
What is the InChIKey of bis(dibutylamino)methylidene-dibutylazanium fluoride?
The InChIKey is ZWPRYVATYZPCDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H54N3.FH/c1-7-13-19-26(20-14-8-2)25(27(21-15-9-3)22-16-10-4)28(23-17-11-5)24-18-12-6;/h7-24H2,1-6H3;1H/q+1;/p-1.
What are the key properties of bis(dibutylamino)methylidene-dibutylazanium fluoride?
bis(dibutylamino)methylidene-dibutylazanium fluoride has a molecular weight of 415.73 g/mol, XLogP of 3.76, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutylamino)methylidene-dibutylazanium fluoride is sourced from PubChem (CID 11384479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).