[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane

C17H29NOSi — CID 10891631

IUPAC[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C17H29NOSi/c1-14-16(13-19-20(5,6)17(2,3)4)18(14)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16+,18?/m1/s1
InChIKeyWSWWJKAASQYXQY-HMZVSMPESA-N
MW291.51 g/mol
LogP4.28
Rot. Bonds5

About [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane

[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10891631) has the molecular formula C17H29NOSi and a molecular weight of 291.51 g/mol. Its IUPAC name is [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10891631
Molecular FormulaC17H29NOSi
Molecular Weight291.51 g/mol
Exact Mass291.20
IUPAC Name[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1
InChIInChI=1S/C17H29NOSi/c1-14-16(13-19-20(5,6)17(2,3)4)18(14)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16+,18?/m1/s1
InChIKeyWSWWJKAASQYXQY-HMZVSMPESA-N
XLogP4.28
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 54.28
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 [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 10891631) is [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane is C[C@@H]1[C@H](CO[Si](C)(C)C(C)(C)C)N1Cc1ccccc1.
What is the InChIKey of [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WSWWJKAASQYXQY-HMZVSMPESA-N. The full InChI is InChI=1S/C17H29NOSi/c1-14-16(13-19-20(5,6)17(2,3)4)18(14)12-15-10-8-7-9-11-15/h7-11,14,16H,12-13H2,1-6H3/t14-,16+,18?/m1/s1.
What are the key properties of [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane?
[(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 291.51 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-benzyl-3-methylaziridin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10891631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).