N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid

C4H16BN3O6 — CID 88619821

IUPACN-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid
SMILESCN(O)C(N(C)O)N(C)O.OB(O)O
InChIInChI=1S/C4H13N3O3.BH3O3/c1-5(8)4(6(2)9)7(3)10;2-1(3)4/h4,8-10H,1-3H3;2-4H
InChIKeyIWKLUNVTONLTRH-UHFFFAOYSA-N
MW213.00 g/mol
LogP-2.82
Rot. Bonds3

About N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid

N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid (PubChem CID 88619821) has the molecular formula C4H16BN3O6 and a molecular weight of 213.00 g/mol. Its IUPAC name is N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid.

Molecular Properties

Compound NameN-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid
PubChem CID88619821
Molecular FormulaC4H16BN3O6
Molecular Weight213.00 g/mol
Exact Mass213.11
IUPAC NameN-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid
SMILESCN(O)C(N(C)O)N(C)O.OB(O)O
InChIInChI=1S/C4H13N3O3.BH3O3/c1-5(8)4(6(2)9)7(3)10;2-1(3)4/h4,8-10H,1-3H3;2-4H
InChIKeyIWKLUNVTONLTRH-UHFFFAOYSA-N
XLogP-2.82
TPSA131.10 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.00
LogP ≤ 5-2.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid?
The IUPAC name of N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid (CID 88619821) is N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid.
What is the SMILES notation for N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid?
The canonical SMILES for N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid is CN(O)C(N(C)O)N(C)O.OB(O)O.
What is the InChIKey of N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid?
The InChIKey is IWKLUNVTONLTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N3O3.BH3O3/c1-5(8)4(6(2)9)7(3)10;2-1(3)4/h4,8-10H,1-3H3;2-4H.
What are the key properties of N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid?
N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid has a molecular weight of 213.00 g/mol, XLogP of -2.82, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[hydroxy(methyl)amino]methyl]-N-methylhydroxylamine;boric acid is sourced from PubChem (CID 88619821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).