[4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate

C14H24BF4N3O — CID 18530335

IUPAC[4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
SMILESCN(C)C(ON1CC2C3C=CC(C3)C2C1)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C14H24N3O.BF4/c1-15(2)14(16(3)4)18-17-8-12-10-5-6-11(7-10)13(12)9-17;2-1(3,4)5/h5-6,10-13H,7-9H2,1-4H3;/q+1;-1
InChIKeyZMJBNFPRAHRHCG-UHFFFAOYSA-N
MW337.17 g/mol
LogP2.16
Rot. Bonds1

About [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate

[4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate (PubChem CID 18530335) has the molecular formula C14H24BF4N3O and a molecular weight of 337.17 g/mol. Its IUPAC name is [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate.

Molecular Properties

Compound Name[4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
PubChem CID18530335
Molecular FormulaC14H24BF4N3O
Molecular Weight337.17 g/mol
Exact Mass337.19
IUPAC Name[4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate
SMILESCN(C)C(ON1CC2C3C=CC(C3)C2C1)=[N+](C)C.F[B-](F)(F)F
InChIInChI=1S/C14H24N3O.BF4/c1-15(2)14(16(3)4)18-17-8-12-10-5-6-11(7-10)13(12)9-17;2-1(3,4)5/h5-6,10-13H,7-9H2,1-4H3;/q+1;-1
InChIKeyZMJBNFPRAHRHCG-UHFFFAOYSA-N
XLogP2.16
TPSA18.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate?
The IUPAC name of [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate (CID 18530335) is [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate.
What is the SMILES notation for [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate?
The canonical SMILES for [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate is CN(C)C(ON1CC2C3C=CC(C3)C2C1)=[N+](C)C.F[B-](F)(F)F.
What is the InChIKey of [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate?
The InChIKey is ZMJBNFPRAHRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N3O.BF4/c1-15(2)14(16(3)4)18-17-8-12-10-5-6-11(7-10)13(12)9-17;2-1(3,4)5/h5-6,10-13H,7-9H2,1-4H3;/q+1;-1.
What are the key properties of [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate?
[4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate has a molecular weight of 337.17 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-azatricyclo[5.2.1.02,6]dec-8-en-4-yloxy(dimethylamino)methylidene]-dimethylazanium tetrafluoroborate is sourced from PubChem (CID 18530335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).