N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine

C17H35B2NO4 — CID 122213031

IUPACN-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine
SMILESCC(C)(C)N(CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H35B2NO4/c1-13(2,3)20(19-23-16(8,9)17(10,11)24-19)12-18-21-14(4,5)15(6,7)22-18/h12H2,1-11H3
InChIKeyYQNJXCOSHQVONI-UHFFFAOYSA-N
MW339.09 g/mol
LogP3.31
Rot. Bonds3

About N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine

N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine (PubChem CID 122213031) has the molecular formula C17H35B2NO4 and a molecular weight of 339.09 g/mol. Its IUPAC name is N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine
PubChem CID122213031
Molecular FormulaC17H35B2NO4
Molecular Weight339.09 g/mol
Exact Mass339.28
IUPAC NameN-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine
SMILESCC(C)(C)N(CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H35B2NO4/c1-13(2,3)20(19-23-16(8,9)17(10,11)24-19)12-18-21-14(4,5)15(6,7)22-18/h12H2,1-11H3
InChIKeyYQNJXCOSHQVONI-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine with MolForge

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Related Compounds

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
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 11471561
2-(3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259989
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 170985239
4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine
CID 102587208
2-ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;propane
CID 143883669
4,4,5,5-tetramethyl-2-(2,3,3-trifluoroprop-2-enyl)-1,3,2-dioxaborolane
CID 155821972
4,4,5,5-tetramethyl-2-[5,5,5-trifluoro-4-methyl-4-(trifluoromethyl)pentyl]-1,3,2-dioxaborolane
CID 143087891
ethane;4,4,5,5-tetramethyl-2-(5,5,5-trifluoro-4,4-dimethylpentyl)-1,3,2-dioxaborolane
CID 143087872
2-(ethoxymethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59759258
N-dodecyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
CID 132534009
2-heptadecyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146165208

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine?
The IUPAC name of N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine (CID 122213031) is N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine.
What is the SMILES notation for N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine?
The canonical SMILES for N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine is CC(C)(C)N(CB1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine?
The InChIKey is YQNJXCOSHQVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35B2NO4/c1-13(2,3)20(19-23-16(8,9)17(10,11)24-19)12-18-21-14(4,5)15(6,7)22-18/h12H2,1-11H3.
What are the key properties of N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine?
N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine has a molecular weight of 339.09 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4,5,5-tetramethyl-N-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolan-2-amine is sourced from PubChem (CID 122213031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).