(2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane

C20H32BNSi — CID 162411396

IUPAC(2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane
SMILESCCCC1=CC=CN([Si](C)(C)C(C)(C)C)B1Cc1ccccc1
InChIInChI=1S/C20H32BNSi/c1-7-12-19-15-11-16-22(23(5,6)20(2,3)4)21(19)17-18-13-9-8-10-14-18/h8-11,13-16H,7,12,17H2,1-6H3
InChIKeyDREFWMNYWYMUNR-UHFFFAOYSA-N
MW325.38 g/mol
LogP5.86
Rot. Bonds5

About (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane

(2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane (PubChem CID 162411396) has the molecular formula C20H32BNSi and a molecular weight of 325.38 g/mol. Its IUPAC name is (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane
PubChem CID162411396
Molecular FormulaC20H32BNSi
Molecular Weight325.38 g/mol
Exact Mass325.24
IUPAC Name(2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane
SMILESCCCC1=CC=CN([Si](C)(C)C(C)(C)C)B1Cc1ccccc1
InChIInChI=1S/C20H32BNSi/c1-7-12-19-15-11-16-22(23(5,6)20(2,3)4)21(19)17-18-13-9-8-10-14-18/h8-11,13-16H,7,12,17H2,1-6H3
InChIKeyDREFWMNYWYMUNR-UHFFFAOYSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.38
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-benzyl-3-bromoazaborinin-1-yl)-tert-butyl-dimethylsilane
CID 162411388
tert-butyl-(2-chloro-3-propylazaborinin-1-yl)-dimethylsilane
CID 122211909
lithium;5H-borolo[1,2-b]azaborinin-1-yl-tert-butyl-dimethylsilane;carbanide
CID 162280134
propylbenzene tetraiodide
CID 23321652
propylbenzene;hydrobromide
CID 70024036
ethane;ethylbenzene;propylbenzene
CID 153343160
ethane;ethylbenzene;propylbenzene
CID 144852867
(2-ethyl-2-methylbutyl)benzene
CID 123641908
propylbenzene;N,N,2-trimethylpropan-2-amine
CID 91496276
2-tert-butylperoxy-2-methylpropane;propylbenzene
CID 161368521
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane?
The IUPAC name of (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane (CID 162411396) is (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane.
What is the SMILES notation for (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane?
The canonical SMILES for (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane is CCCC1=CC=CN([Si](C)(C)C(C)(C)C)B1Cc1ccccc1.
What is the InChIKey of (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane?
The InChIKey is DREFWMNYWYMUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BNSi/c1-7-12-19-15-11-16-22(23(5,6)20(2,3)4)21(19)17-18-13-9-8-10-14-18/h8-11,13-16H,7,12,17H2,1-6H3.
What are the key properties of (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane?
(2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane has a molecular weight of 325.38 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-3-propylazaborinin-1-yl)-tert-butyl-dimethylsilane is sourced from PubChem (CID 162411396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).