(2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine

C19H33NOSi — CID 10903268

IUPAC(2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine
SMILESCC(C)[Si](O[C@@H](C)/C=N/Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H33NOSi/c1-15(2)22(16(3)4,17(5)6)21-18(7)13-20-14-19-11-9-8-10-12-19/h8-13,15-18H,14H2,1-7H3/b20-13+/t18-/m0/s1
InChIKeyWQDYGFYSXGCHDD-ACRNLXFHSA-N
MW319.56 g/mol
LogP5.84
Rot. Bonds8

About (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine

(2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine (PubChem CID 10903268) has the molecular formula C19H33NOSi and a molecular weight of 319.56 g/mol. Its IUPAC name is (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine.

Molecular Properties

Compound Name(2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine
PubChem CID10903268
Molecular FormulaC19H33NOSi
Molecular Weight319.56 g/mol
Exact Mass319.23
IUPAC Name(2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine
SMILESCC(C)[Si](O[C@@H](C)/C=N/Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C19H33NOSi/c1-15(2)22(16(3)4,17(5)6)21-18(7)13-20-14-19-11-9-8-10-12-19/h8-13,15-18H,14H2,1-7H3/b20-13+/t18-/m0/s1
InChIKeyWQDYGFYSXGCHDD-ACRNLXFHSA-N
XLogP5.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.56
LogP ≤ 55.84
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 (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine?
The IUPAC name of (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine (CID 10903268) is (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine.
What is the SMILES notation for (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine?
The canonical SMILES for (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine is CC(C)[Si](O[C@@H](C)/C=N/Cc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine?
The InChIKey is WQDYGFYSXGCHDD-ACRNLXFHSA-N. The full InChI is InChI=1S/C19H33NOSi/c1-15(2)22(16(3)4,17(5)6)21-18(7)13-20-14-19-11-9-8-10-12-19/h8-13,15-18H,14H2,1-7H3/b20-13+/t18-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine?
(2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine has a molecular weight of 319.56 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-tri(propan-2-yl)silyloxypropan-1-imine is sourced from PubChem (CID 10903268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).