dimethylaminoboronic acid

C2H8BNO2 — CID 68874599

IUPACdimethylaminoboronic acid
SMILESCN(C)B(O)O
InChIInChI=1S/C2H8BNO2/c1-4(2)3(5)6/h5-6H,1-2H3
InChIKeyKTUABENUVOJJEE-UHFFFAOYSA-N
MW88.90 g/mol
LogP-1.48
Rot. Bonds1

About dimethylaminoboronic acid

dimethylaminoboronic acid (PubChem CID 68874599) has the molecular formula C2H8BNO2 and a molecular weight of 88.90 g/mol. Its IUPAC name is dimethylaminoboronic acid.

Molecular Properties

Compound Namedimethylaminoboronic acid
PubChem CID68874599
Molecular FormulaC2H8BNO2
Molecular Weight88.90 g/mol
Exact Mass89.06
IUPAC Namedimethylaminoboronic acid
SMILESCN(C)B(O)O
InChIInChI=1S/C2H8BNO2/c1-4(2)3(5)6/h5-6H,1-2H3
InChIKeyKTUABENUVOJJEE-UHFFFAOYSA-N
XLogP-1.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.90
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylaminoboronic acid?
The IUPAC name of dimethylaminoboronic acid (CID 68874599) is dimethylaminoboronic acid.
What is the SMILES notation for dimethylaminoboronic acid?
The canonical SMILES for dimethylaminoboronic acid is CN(C)B(O)O.
What is the InChIKey of dimethylaminoboronic acid?
The InChIKey is KTUABENUVOJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8BNO2/c1-4(2)3(5)6/h5-6H,1-2H3.
What are the key properties of dimethylaminoboronic acid?
dimethylaminoboronic acid has a molecular weight of 88.90 g/mol, XLogP of -1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminoboronic acid is sourced from PubChem (CID 68874599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).