boric acid;N,N-dimethylmethanamine;N-methylmethanamine

C5H22B2N2O6 — CID 159223115

IUPACboric acid;N,N-dimethylmethanamine;N-methylmethanamine
SMILESCN(C)C.CNC.OB(O)O.OB(O)O
InChIInChI=1S/C3H9N.C2H7N.2BH3O3/c1-4(2)3;1-3-2;2*2-1(3)4/h1-3H3;3H,1-2H3;2*2-4H
InChIKeyKRYIGPLYFPJDAW-UHFFFAOYSA-N
MW227.86 g/mol
LogP-4.09
Rot. Bonds

About boric acid;N,N-dimethylmethanamine;N-methylmethanamine

boric acid;N,N-dimethylmethanamine;N-methylmethanamine (PubChem CID 159223115) has the molecular formula C5H22B2N2O6 and a molecular weight of 227.86 g/mol. Its IUPAC name is boric acid;N,N-dimethylmethanamine;N-methylmethanamine.

Molecular Properties

Compound Nameboric acid;N,N-dimethylmethanamine;N-methylmethanamine
PubChem CID159223115
Molecular FormulaC5H22B2N2O6
Molecular Weight227.86 g/mol
Exact Mass228.17
IUPAC Nameboric acid;N,N-dimethylmethanamine;N-methylmethanamine
SMILESCN(C)C.CNC.OB(O)O.OB(O)O
InChIInChI=1S/C3H9N.C2H7N.2BH3O3/c1-4(2)3;1-3-2;2*2-1(3)4/h1-3H3;3H,1-2H3;2*2-4H
InChIKeyKRYIGPLYFPJDAW-UHFFFAOYSA-N
XLogP-4.09
TPSA136.65 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.86
LogP ≤ 5-4.09
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Hydrogen borate;bis(trimethylazanium)
CID 142675535
CID 157774441
CID 157774441
boric acid;tris(N-methylmethanamine)
CID 172826452

Frequently Asked Questions

What is the IUPAC name of boric acid;N,N-dimethylmethanamine;N-methylmethanamine?
The IUPAC name of boric acid;N,N-dimethylmethanamine;N-methylmethanamine (CID 159223115) is boric acid;N,N-dimethylmethanamine;N-methylmethanamine.
What is the SMILES notation for boric acid;N,N-dimethylmethanamine;N-methylmethanamine?
The canonical SMILES for boric acid;N,N-dimethylmethanamine;N-methylmethanamine is CN(C)C.CNC.OB(O)O.OB(O)O.
What is the InChIKey of boric acid;N,N-dimethylmethanamine;N-methylmethanamine?
The InChIKey is KRYIGPLYFPJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H7N.2BH3O3/c1-4(2)3;1-3-2;2*2-1(3)4/h1-3H3;3H,1-2H3;2*2-4H.
What are the key properties of boric acid;N,N-dimethylmethanamine;N-methylmethanamine?
boric acid;N,N-dimethylmethanamine;N-methylmethanamine has a molecular weight of 227.86 g/mol, XLogP of -4.09, 0 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;N,N-dimethylmethanamine;N-methylmethanamine is sourced from PubChem (CID 159223115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).