(1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane

C16H27NOSi — CID 23243949

IUPAC(1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CN1Cc1ccccc1
InChIInChI=1S/C16H27NOSi/c1-16(2,3)19(4,5)18-13-15-12-17(15)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3
InChIKeyLFGUUAVNGHPXLG-UHFFFAOYSA-N
MW277.48 g/mol
LogP3.89
Rot. Bonds5

About (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane

(1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane (PubChem CID 23243949) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name(1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane
PubChem CID23243949
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name(1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CN1Cc1ccccc1
InChIInChI=1S/C16H27NOSi/c1-16(2,3)19(4,5)18-13-15-12-17(15)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3
InChIKeyLFGUUAVNGHPXLG-UHFFFAOYSA-N
XLogP3.89
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane?
The IUPAC name of (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane (CID 23243949) is (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CN1Cc1ccccc1.
What is the InChIKey of (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane?
The InChIKey is LFGUUAVNGHPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-16(2,3)19(4,5)18-13-15-12-17(15)11-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3.
What are the key properties of (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane?
(1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane has a molecular weight of 277.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylaziridin-2-yl)methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23243949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).