N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine

C16H27NOSi — CID 10989534

IUPACN-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine
SMILESCC(/C=N/Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NOSi/c1-14(18-19(5,6)16(2,3)4)12-17-13-15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3/b17-12+
InChIKeyRAIKUTUYMLJPTL-SFQUDFHCSA-N
MW277.48 g/mol
LogP4.67
Rot. Bonds5

About N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine

N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine (PubChem CID 10989534) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine.

Molecular Properties

Compound NameN-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine
PubChem CID10989534
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine
SMILESCC(/C=N/Cc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H27NOSi/c1-14(18-19(5,6)16(2,3)4)12-17-13-15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3/b17-12+
InChIKeyRAIKUTUYMLJPTL-SFQUDFHCSA-N
XLogP4.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.67
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 N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine?
The IUPAC name of N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine (CID 10989534) is N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine.
What is the SMILES notation for N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine?
The canonical SMILES for N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine is CC(/C=N/Cc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine?
The InChIKey is RAIKUTUYMLJPTL-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-14(18-19(5,6)16(2,3)4)12-17-13-15-10-8-7-9-11-15/h7-12,14H,13H2,1-6H3/b17-12+.
What are the key properties of N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine?
N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine has a molecular weight of 277.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine is sourced from PubChem (CID 10989534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).