(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine

C28H35NOSi — CID 10906112

IUPAC(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine
SMILESCC(C)[C@H](/C=N/Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H35NOSi/c1-23(2)27(22-29-21-24-15-9-6-10-16-24)30-31(28(3,4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,22-23,27H,21H2,1-5H3/b29-22+/t27-/m0/s1
InChIKeyHGWAAQGQVSVSMX-BWMBCAMKSA-N
MW429.68 g/mol
LogP5.86
Rot. Bonds8

About (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine

(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine (PubChem CID 10906112) has the molecular formula C28H35NOSi and a molecular weight of 429.68 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine
PubChem CID10906112
Molecular FormulaC28H35NOSi
Molecular Weight429.68 g/mol
Exact Mass429.25
IUPAC Name(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine
SMILESCC(C)[C@H](/C=N/Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H35NOSi/c1-23(2)27(22-29-21-24-15-9-6-10-16-24)30-31(28(3,4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,22-23,27H,21H2,1-5H3/b29-22+/t27-/m0/s1
InChIKeyHGWAAQGQVSVSMX-BWMBCAMKSA-N
XLogP5.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 55.86
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine?
The IUPAC name of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine (CID 10906112) is (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine.
What is the SMILES notation for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine?
The canonical SMILES for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine is CC(C)[C@H](/C=N/Cc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine?
The InChIKey is HGWAAQGQVSVSMX-BWMBCAMKSA-N. The full InChI is InChI=1S/C28H35NOSi/c1-23(2)27(22-29-21-24-15-9-6-10-16-24)30-31(28(3,4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,22-23,27H,21H2,1-5H3/b29-22+/t27-/m0/s1.
What are the key properties of (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine?
(2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine has a molecular weight of 429.68 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-1-imine is sourced from PubChem (CID 10906112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).