[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate

C10H25B2F8N3 — CID 86634559

IUPAC[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate
SMILESCN(C)C=C(C[NH+](C)C)C[NH+](C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H23N3.2BF4/c1-11(2)7-10(8-12(3)4)9-13(5)6;2*2-1(3,4)5/h7H,8-9H2,1-6H3;;/q;2*-1/p+2
InChIKeyRSEYRKHBHATJLP-UHFFFAOYSA-P
MW360.94 g/mol
LogP0.32
Rot. Bonds5

About [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate

[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate (PubChem CID 86634559) has the molecular formula C10H25B2F8N3 and a molecular weight of 360.94 g/mol. Its IUPAC name is [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate.

Molecular Properties

Compound Name[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate
PubChem CID86634559
Molecular FormulaC10H25B2F8N3
Molecular Weight360.94 g/mol
Exact Mass361.21
IUPAC Name[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate
SMILESCN(C)C=C(C[NH+](C)C)C[NH+](C)C.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H23N3.2BF4/c1-11(2)7-10(8-12(3)4)9-13(5)6;2*2-1(3,4)5/h7H,8-9H2,1-6H3;;/q;2*-1/p+2
InChIKeyRSEYRKHBHATJLP-UHFFFAOYSA-P
XLogP0.32
TPSA12.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.94
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanediaminium,2-[(dimethylamino)methylene]-N1,N1,N3,N3-tetramethyl-
CID 57350043
Vinamidinium
CID 101612644

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate?
The IUPAC name of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate (CID 86634559) is [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate.
What is the SMILES notation for [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate?
The canonical SMILES for [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate is CN(C)C=C(C[NH+](C)C)C[NH+](C)C.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate?
The InChIKey is RSEYRKHBHATJLP-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H23N3.2BF4/c1-11(2)7-10(8-12(3)4)9-13(5)6;2*2-1(3,4)5/h7H,8-9H2,1-6H3;;/q;2*-1/p+2.
What are the key properties of [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate?
[3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate has a molecular weight of 360.94 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-[(dimethylazaniumyl)methyl]prop-2-enyl]-dimethylazanium ditetrafluoroborate is sourced from PubChem (CID 86634559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).