N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine

C17H35B2NO4 — CID 132579513

IUPACN-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
SMILESCC(C)(C)CN(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H35B2NO4/c1-13(2,3)12-20(18-21-14(4,5)15(6,7)22-18)19-23-16(8,9)17(10,11)24-19/h12H2,1-11H3
InChIKeyDDBRBNFVGIBXKB-UHFFFAOYSA-N
MW339.09 g/mol
LogP3.51
Rot. Bonds3

About N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine

N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine (PubChem CID 132579513) has the molecular formula C17H35B2NO4 and a molecular weight of 339.09 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
PubChem CID132579513
Molecular FormulaC17H35B2NO4
Molecular Weight339.09 g/mol
Exact Mass339.28
IUPAC NameN-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
SMILESCC(C)(C)CN(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H35B2NO4/c1-13(2,3)12-20(18-21-14(4,5)15(6,7)22-18)19-23-16(8,9)17(10,11)24-19/h12H2,1-11H3
InChIKeyDDBRBNFVGIBXKB-UHFFFAOYSA-N
XLogP3.51
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.09
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine (CID 132579513) is N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine is CC(C)(C)CN(B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
The InChIKey is DDBRBNFVGIBXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35B2NO4/c1-13(2,3)12-20(18-21-14(4,5)15(6,7)22-18)19-23-16(8,9)17(10,11)24-19/h12H2,1-11H3.
What are the key properties of N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine has a molecular weight of 339.09 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine is sourced from PubChem (CID 132579513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).