N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide

C17H29NO2Si — CID 10638462

IUPACN-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide
SMILESCC(/C=[N+](\[O-])Cc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-15(14-20-21(5,6)17(2,3)4)12-18(19)13-16-10-8-7-9-11-16/h7-12,15H,13-14H2,1-6H3/b18-12-
InChIKeyIGQMECRUUKCIJO-PDGQHHTCSA-N
MW307.51 g/mol
LogP4.43
Rot. Bonds6

About N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide

N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide (PubChem CID 10638462) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide.

Molecular Properties

Compound NameN-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide
PubChem CID10638462
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC NameN-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide
SMILESCC(/C=[N+](\[O-])Cc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H29NO2Si/c1-15(14-20-21(5,6)17(2,3)4)12-18(19)13-16-10-8-7-9-11-16/h7-12,15H,13-14H2,1-6H3/b18-12-
InChIKeyIGQMECRUUKCIJO-PDGQHHTCSA-N
XLogP4.43
TPSA35.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide?
The IUPAC name of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide (CID 10638462) is N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide.
What is the SMILES notation for N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide?
The canonical SMILES for N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide is CC(/C=[N+](\[O-])Cc1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide?
The InChIKey is IGQMECRUUKCIJO-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-15(14-20-21(5,6)17(2,3)4)12-18(19)13-16-10-8-7-9-11-16/h7-12,15H,13-14H2,1-6H3/b18-12-.
What are the key properties of N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide?
N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide has a molecular weight of 307.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-1-imine oxide is sourced from PubChem (CID 10638462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).