(2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine

C29H47NO2Si2 — CID 10885566

IUPAC(2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=N/Cc1ccccc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H47NO2Si2/c1-28(2,3)33(7,8)31-26(21-24-17-13-11-14-18-24)27(32-34(9,10)29(4,5)6)23-30-22-25-19-15-12-16-20-25/h11-20,23,26-27H,21-22H2,1-10H3/b30-23+/t26-,27-/m0/s1
InChIKeyKSRDCAYHCIFCGI-SDUPJGMISA-N
MW497.87 g/mol
LogP8.28
Rot. Bonds10

About (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine

(2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine (PubChem CID 10885566) has the molecular formula C29H47NO2Si2 and a molecular weight of 497.87 g/mol. Its IUPAC name is (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine.

Molecular Properties

Compound Name(2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine
PubChem CID10885566
Molecular FormulaC29H47NO2Si2
Molecular Weight497.87 g/mol
Exact Mass497.31
IUPAC Name(2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=N/Cc1ccccc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H47NO2Si2/c1-28(2,3)33(7,8)31-26(21-24-17-13-11-14-18-24)27(32-34(9,10)29(4,5)6)23-30-22-25-19-15-12-16-20-25/h11-20,23,26-27H,21-22H2,1-10H3/b30-23+/t26-,27-/m0/s1
InChIKeyKSRDCAYHCIFCGI-SDUPJGMISA-N
XLogP8.28
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.87
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine?
The IUPAC name of (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine (CID 10885566) is (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine.
What is the SMILES notation for (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine?
The canonical SMILES for (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine is CC(C)(C)[Si](C)(C)O[C@@H](/C=N/Cc1ccccc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine?
The InChIKey is KSRDCAYHCIFCGI-SDUPJGMISA-N. The full InChI is InChI=1S/C29H47NO2Si2/c1-28(2,3)33(7,8)31-26(21-24-17-13-11-14-18-24)27(32-34(9,10)29(4,5)6)23-30-22-25-19-15-12-16-20-25/h11-20,23,26-27H,21-22H2,1-10H3/b30-23+/t26-,27-/m0/s1.
What are the key properties of (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine?
(2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine has a molecular weight of 497.87 g/mol, XLogP of 8.28, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylbutan-1-imine is sourced from PubChem (CID 10885566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).