dimethylaminomethylidene(dimethyl)azanium;hydrofluoride

C5H14FN2+ — CID 172692317

IUPACdimethylaminomethylidene(dimethyl)azanium;hydrofluoride
SMILESCN(C)C=[N+](C)C.F
InChIInChI=1S/C5H13N2.FH/c1-6(2)5-7(3)4;/h5H,1-4H3;1H/q+1;
InChIKeyKSMNUCRWPJVBNY-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.00
Rot. Bonds1

About dimethylaminomethylidene(dimethyl)azanium;hydrofluoride

dimethylaminomethylidene(dimethyl)azanium;hydrofluoride (PubChem CID 172692317) has the molecular formula C5H14FN2+ and a molecular weight of 121.18 g/mol. Its IUPAC name is dimethylaminomethylidene(dimethyl)azanium;hydrofluoride.

Molecular Properties

Compound Namedimethylaminomethylidene(dimethyl)azanium;hydrofluoride
PubChem CID172692317
Molecular FormulaC5H14FN2+
Molecular Weight121.18 g/mol
Exact Mass121.11
IUPAC Namedimethylaminomethylidene(dimethyl)azanium;hydrofluoride
SMILESCN(C)C=[N+](C)C.F
InChIInChI=1S/C5H13N2.FH/c1-6(2)5-7(3)4;/h5H,1-4H3;1H/q+1;
InChIKeyKSMNUCRWPJVBNY-UHFFFAOYSA-N
XLogP0.00
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.00
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 dimethylaminomethylidene(dimethyl)azanium;hydrofluoride?
The IUPAC name of dimethylaminomethylidene(dimethyl)azanium;hydrofluoride (CID 172692317) is dimethylaminomethylidene(dimethyl)azanium;hydrofluoride.
What is the SMILES notation for dimethylaminomethylidene(dimethyl)azanium;hydrofluoride?
The canonical SMILES for dimethylaminomethylidene(dimethyl)azanium;hydrofluoride is CN(C)C=[N+](C)C.F.
What is the InChIKey of dimethylaminomethylidene(dimethyl)azanium;hydrofluoride?
The InChIKey is KSMNUCRWPJVBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2.FH/c1-6(2)5-7(3)4;/h5H,1-4H3;1H/q+1;.
What are the key properties of dimethylaminomethylidene(dimethyl)azanium;hydrofluoride?
dimethylaminomethylidene(dimethyl)azanium;hydrofluoride has a molecular weight of 121.18 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminomethylidene(dimethyl)azanium;hydrofluoride is sourced from PubChem (CID 172692317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).