N,N'-ditert-butyl-N'-dimethylboranyloxamide

C12H25BN2O2 — CID 134920383

IUPACN,N'-ditert-butyl-N'-dimethylboranyloxamide
SMILESCB(C)N(C(=O)C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25BN2O2/c1-11(2,3)14-9(16)10(17)15(13(7)8)12(4,5)6/h1-8H3,(H,14,16)
InChIKeyUBVHYUHVSBFYRU-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.78
Rot. Bonds1

About N,N'-ditert-butyl-N'-dimethylboranyloxamide

N,N'-ditert-butyl-N'-dimethylboranyloxamide (PubChem CID 134920383) has the molecular formula C12H25BN2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is N,N'-ditert-butyl-N'-dimethylboranyloxamide.

Molecular Properties

Compound NameN,N'-ditert-butyl-N'-dimethylboranyloxamide
PubChem CID134920383
Molecular FormulaC12H25BN2O2
Molecular Weight240.16 g/mol
Exact Mass240.20
IUPAC NameN,N'-ditert-butyl-N'-dimethylboranyloxamide
SMILESCB(C)N(C(=O)C(=O)NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25BN2O2/c1-11(2,3)14-9(16)10(17)15(13(7)8)12(4,5)6/h1-8H3,(H,14,16)
InChIKeyUBVHYUHVSBFYRU-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-N'-dimethylboranyloxamide?
The IUPAC name of N,N'-ditert-butyl-N'-dimethylboranyloxamide (CID 134920383) is N,N'-ditert-butyl-N'-dimethylboranyloxamide.
What is the SMILES notation for N,N'-ditert-butyl-N'-dimethylboranyloxamide?
The canonical SMILES for N,N'-ditert-butyl-N'-dimethylboranyloxamide is CB(C)N(C(=O)C(=O)NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-N'-dimethylboranyloxamide?
The InChIKey is UBVHYUHVSBFYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BN2O2/c1-11(2,3)14-9(16)10(17)15(13(7)8)12(4,5)6/h1-8H3,(H,14,16).
What are the key properties of N,N'-ditert-butyl-N'-dimethylboranyloxamide?
N,N'-ditert-butyl-N'-dimethylboranyloxamide has a molecular weight of 240.16 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-N'-dimethylboranyloxamide is sourced from PubChem (CID 134920383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).