[dimethylamino(methyl)azaniumylidene]boranuide

C3H11BN2 — CID 157441390

IUPAC[dimethylamino(methyl)azaniumylidene]boranuide
SMILES[BH2-]=[N+](C)N(C)C
InChIInChI=1S/C3H11BN2/c1-5(2)6(3)4/h4H2,1-3H3
InChIKeyWBLOEOFANJEANJ-UHFFFAOYSA-N
MW85.95 g/mol
LogP-1.08
Rot. Bonds1

About [dimethylamino(methyl)azaniumylidene]boranuide

[dimethylamino(methyl)azaniumylidene]boranuide (PubChem CID 157441390) has the molecular formula C3H11BN2 and a molecular weight of 85.95 g/mol. Its IUPAC name is [dimethylamino(methyl)azaniumylidene]boranuide.

Molecular Properties

Compound Name[dimethylamino(methyl)azaniumylidene]boranuide
PubChem CID157441390
Molecular FormulaC3H11BN2
Molecular Weight85.95 g/mol
Exact Mass86.10
IUPAC Name[dimethylamino(methyl)azaniumylidene]boranuide
SMILES[BH2-]=[N+](C)N(C)C
InChIInChI=1S/C3H11BN2/c1-5(2)6(3)4/h4H2,1-3H3
InChIKeyWBLOEOFANJEANJ-UHFFFAOYSA-N
XLogP-1.08
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.95
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylhydroxylamine;dimethyl(oxo)azanium;methane
CID 159997791
CID 140801860
CID 140801860
(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
CID 134874702
[dimethylamino(ethoxy)methylidene]-dimethylazanium iodide
CID 87764274
[bromo(dimethylamino)methylidene]-dimethylazanium bromide
CID 12638401
1-chloroethanol;N,N-dimethylmethanamine
CID 87179107
[dimethylamino(propylsulfanyl)methylidene]-dimethylazanium iodide
CID 87471269
[[bis(dimethylamino)methylamino]-(dimethylamino)methylidene]-dimethylazanium perchlorate
CID 135052279
N-amino-N-methylhydroxylamine
CID 15168490
N,N-dimethylmethanamine;hydroxysilane;zinc
CID 174382751
N,N-dimethylhydroxylamine;hydrazine
CID 158073079
bis(dimethylamino)methylidene-dimethylazanium thiocyanate
CID 13127974

Frequently Asked Questions

What is the IUPAC name of [dimethylamino(methyl)azaniumylidene]boranuide?
The IUPAC name of [dimethylamino(methyl)azaniumylidene]boranuide (CID 157441390) is [dimethylamino(methyl)azaniumylidene]boranuide.
What is the SMILES notation for [dimethylamino(methyl)azaniumylidene]boranuide?
The canonical SMILES for [dimethylamino(methyl)azaniumylidene]boranuide is [BH2-]=[N+](C)N(C)C.
What is the InChIKey of [dimethylamino(methyl)azaniumylidene]boranuide?
The InChIKey is WBLOEOFANJEANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11BN2/c1-5(2)6(3)4/h4H2,1-3H3.
What are the key properties of [dimethylamino(methyl)azaniumylidene]boranuide?
[dimethylamino(methyl)azaniumylidene]boranuide has a molecular weight of 85.95 g/mol, XLogP of -1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(methyl)azaniumylidene]boranuide is sourced from PubChem (CID 157441390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).