[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane

C13H21NSi — CID 162413159

IUPAC[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane
SMILESC[C@@H]1N(C)[C@]1(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H21NSi/c1-11-13(14(11)2,15(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3/t11-,13-,14?/m0/s1
InChIKeyHKIJUBLUZVKSQE-ULVQEXTCSA-N
MW219.40 g/mol
LogP3.09
Rot. Bonds2

About [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane

[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane (PubChem CID 162413159) has the molecular formula C13H21NSi and a molecular weight of 219.40 g/mol. Its IUPAC name is [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane
PubChem CID162413159
Molecular FormulaC13H21NSi
Molecular Weight219.40 g/mol
Exact Mass219.14
IUPAC Name[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane
SMILESC[C@@H]1N(C)[C@]1(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H21NSi/c1-11-13(14(11)2,15(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3/t11-,13-,14?/m0/s1
InChIKeyHKIJUBLUZVKSQE-ULVQEXTCSA-N
XLogP3.09
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
CID 102008054
1-fluoro-2,3-dimethyl-2-phenylaziridine
CID 12547280
1,2-dimethyl-3,3-diphenylpyrrolidine
CID 67621621
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
trimethyl-(1-phenylcyclopropyl)silane
CID 5314804
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
3,4-dimethyl-2-phenylmorpholin-2-ol;hydrochloride
CID 14415060
3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
tert-butyl-[(2S,3R)-3-(4-chlorophenyl)-1,2-diphenylaziridin-2-yl]-dimethylsilane
CID 101359961
(2S,3S)-3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-2-phenyloxirane
CID 56964819

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane?
The IUPAC name of [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane (CID 162413159) is [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane.
What is the SMILES notation for [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane?
The canonical SMILES for [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane is C[C@@H]1N(C)[C@]1(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane?
The InChIKey is HKIJUBLUZVKSQE-ULVQEXTCSA-N. The full InChI is InChI=1S/C13H21NSi/c1-11-13(14(11)2,15(3,4)5)12-9-7-6-8-10-12/h6-11H,1-5H3/t11-,13-,14?/m0/s1.
What are the key properties of [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane?
[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane has a molecular weight of 219.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane is sourced from PubChem (CID 162413159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).