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

C23H33NOSi — CID 11057669

IUPAC(3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine
SMILESC/C(=N\Cc1ccccc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H33NOSi/c1-19(24-18-21-15-11-8-12-16-21)22(17-20-13-9-7-10-14-20)25-26(5,6)23(2,3)4/h7-16,22H,17-18H2,1-6H3/b24-19+/t22-/m0/s1
InChIKeyPJAONAFUHUUGOK-FRSADPSXSA-N
MW367.61 g/mol
LogP6.28
Rot. Bonds7

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

(3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine (PubChem CID 11057669) has the molecular formula C23H33NOSi and a molecular weight of 367.61 g/mol. Its IUPAC name is (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine.

Molecular Properties

Compound Name(3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine
PubChem CID11057669
Molecular FormulaC23H33NOSi
Molecular Weight367.61 g/mol
Exact Mass367.23
IUPAC Name(3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine
SMILESC/C(=N\Cc1ccccc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H33NOSi/c1-19(24-18-21-15-11-8-12-16-21)22(17-20-13-9-7-10-14-20)25-26(5,6)23(2,3)4/h7-16,22H,17-18H2,1-6H3/b24-19+/t22-/m0/s1
InChIKeyPJAONAFUHUUGOK-FRSADPSXSA-N
XLogP6.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.61
LogP ≤ 56.28
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 (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine?
The IUPAC name of (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine (CID 11057669) is (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine.
What is the SMILES notation for (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine?
The canonical SMILES for (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine is C/C(=N\Cc1ccccc1)[C@H](Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine?
The InChIKey is PJAONAFUHUUGOK-FRSADPSXSA-N. The full InChI is InChI=1S/C23H33NOSi/c1-19(24-18-21-15-11-8-12-16-21)22(17-20-13-9-7-10-14-20)25-26(5,6)23(2,3)4/h7-16,22H,17-18H2,1-6H3/b24-19+/t22-/m0/s1.
What are the key properties of (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine?
(3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine has a molecular weight of 367.61 g/mol, XLogP of 6.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-2-imine is sourced from PubChem (CID 11057669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).