boranuide;hydroxymethyl(trimethyl)azanium

C4H16BNO — CID 141026951

IUPACboranuide;hydroxymethyl(trimethyl)azanium
SMILESC[N+](C)(C)CO.[BH4-]
InChIInChI=1S/C4H12NO.BH4/c1-5(2,3)4-6;/h6H,4H2,1-3H3;1H4/q+1;-1
InChIKeyJGAXQKOBZKFVFD-UHFFFAOYSA-N
MW104.99 g/mol
LogP-1.81
Rot. Bonds1

About boranuide;hydroxymethyl(trimethyl)azanium

boranuide;hydroxymethyl(trimethyl)azanium (PubChem CID 141026951) has the molecular formula C4H16BNO and a molecular weight of 104.99 g/mol. Its IUPAC name is boranuide;hydroxymethyl(trimethyl)azanium.

Molecular Properties

Compound Nameboranuide;hydroxymethyl(trimethyl)azanium
PubChem CID141026951
Molecular FormulaC4H16BNO
Molecular Weight104.99 g/mol
Exact Mass105.13
IUPAC Nameboranuide;hydroxymethyl(trimethyl)azanium
SMILESC[N+](C)(C)CO.[BH4-]
InChIInChI=1S/C4H12NO.BH4/c1-5(2,3)4-6;/h6H,4H2,1-3H3;1H4/q+1;-1
InChIKeyJGAXQKOBZKFVFD-UHFFFAOYSA-N
XLogP-1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.99
LogP ≤ 5-1.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hydroxymethyl(trimethyl)azanium hydroxide
CID 15559305
cyclobutane;hydroxymethyl(trimethyl)azanium;iodide
CID 175323903
ethane-1,2-diol;tetramethylazanium
CID 172788906
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407

Frequently Asked Questions

What is the IUPAC name of boranuide;hydroxymethyl(trimethyl)azanium?
The IUPAC name of boranuide;hydroxymethyl(trimethyl)azanium (CID 141026951) is boranuide;hydroxymethyl(trimethyl)azanium.
What is the SMILES notation for boranuide;hydroxymethyl(trimethyl)azanium?
The canonical SMILES for boranuide;hydroxymethyl(trimethyl)azanium is C[N+](C)(C)CO.[BH4-].
What is the InChIKey of boranuide;hydroxymethyl(trimethyl)azanium?
The InChIKey is JGAXQKOBZKFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO.BH4/c1-5(2,3)4-6;/h6H,4H2,1-3H3;1H4/q+1;-1.
What are the key properties of boranuide;hydroxymethyl(trimethyl)azanium?
boranuide;hydroxymethyl(trimethyl)azanium has a molecular weight of 104.99 g/mol, XLogP of -1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for boranuide;hydroxymethyl(trimethyl)azanium is sourced from PubChem (CID 141026951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).