(2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine

C17H37NOSi — CID 10661903

IUPAC(2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine
SMILESC[C@H](/C=N/C(C)(C)C)[C@@H](C)[Si](O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37NOSi/c1-13(12-18-15(3,4)5)14(2)20(19,16(6,7)8)17(9,10)11/h12-14,19H,1-11H3/b18-12+/t13-,14-/m1/s1
InChIKeyDFFXFQDDRRENHI-RWNNJQNRSA-N
MW299.58 g/mol
LogP5.42
Rot. Bonds3

About (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine

(2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine (PubChem CID 10661903) has the molecular formula C17H37NOSi and a molecular weight of 299.58 g/mol. Its IUPAC name is (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine.

Molecular Properties

Compound Name(2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine
PubChem CID10661903
Molecular FormulaC17H37NOSi
Molecular Weight299.58 g/mol
Exact Mass299.26
IUPAC Name(2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine
SMILESC[C@H](/C=N/C(C)(C)C)[C@@H](C)[Si](O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C17H37NOSi/c1-13(12-18-15(3,4)5)14(2)20(19,16(6,7)8)17(9,10)11/h12-14,19H,1-11H3/b18-12+/t13-,14-/m1/s1
InChIKeyDFFXFQDDRRENHI-RWNNJQNRSA-N
XLogP5.42
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.58
LogP ≤ 55.42
H-Bond Donors ≤ 51
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,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine?
The IUPAC name of (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine (CID 10661903) is (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine.
What is the SMILES notation for (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine?
The canonical SMILES for (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine is C[C@H](/C=N/C(C)(C)C)[C@@H](C)[Si](O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine?
The InChIKey is DFFXFQDDRRENHI-RWNNJQNRSA-N. The full InChI is InChI=1S/C17H37NOSi/c1-13(12-18-15(3,4)5)14(2)20(19,16(6,7)8)17(9,10)11/h12-14,19H,1-11H3/b18-12+/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine?
(2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine has a molecular weight of 299.58 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-tert-butyl-3-[ditert-butyl(hydroxy)silyl]-2-methylbutan-1-imine is sourced from PubChem (CID 10661903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).