N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine

C20H35NO3Si — CID 11810656

IUPACN-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine
SMILESCCO[Si](CCc1ccccc1/C(C)=N/C(C)(C)C)(OCC)OCC
InChIInChI=1S/C20H35NO3Si/c1-8-22-25(23-9-2,24-10-3)16-15-18-13-11-12-14-19(18)17(4)21-20(5,6)7/h11-14H,8-10,15-16H2,1-7H3/b21-17+
InChIKeyJZOGHLHUYVESIY-HEHNFIMWSA-N
MW365.59 g/mol
LogP4.89
Rot. Bonds10

About N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine

N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine (PubChem CID 11810656) has the molecular formula C20H35NO3Si and a molecular weight of 365.59 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine
PubChem CID11810656
Molecular FormulaC20H35NO3Si
Molecular Weight365.59 g/mol
Exact Mass365.24
IUPAC NameN-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine
SMILESCCO[Si](CCc1ccccc1/C(C)=N/C(C)(C)C)(OCC)OCC
InChIInChI=1S/C20H35NO3Si/c1-8-22-25(23-9-2,24-10-3)16-15-18-13-11-12-14-19(18)17(4)21-20(5,6)7/h11-14H,8-10,15-16H2,1-7H3/b21-17+
InChIKeyJZOGHLHUYVESIY-HEHNFIMWSA-N
XLogP4.89
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[2,6-bis(2-triethoxysilylethyl)phenyl]-N-piperidin-1-ylethanimine
CID 11250201
2-hydroxy-2-phenyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanone;2-propan-2-yloxypropane
CID 19070360
phenyl-[2-(3-triethoxysilylpropyl)phenyl]methanone
CID 141118396
1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
CID 86185871
2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
dimethyl 4-(2-triethoxysilylethyl)benzene-1,3-dicarboxylate
CID 101047419
(E)-1-(2-butylphenyl)-N-methoxyethanimine
CID 164678029
2-(2-triethoxysilylethyl)naphthalene-1-carbonitrile
CID 100939023
2,3-bis(3-triethoxysilylpropyl)aniline
CID 69038548
N-[1-(2-dodecylphenyl)ethylidene]hydroxylamine
CID 86160120
(Z)-1-(2-ethylphenyl)-N-methoxyethanimine
CID 59119889
1-[7-(2-triethoxysilylethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethanone
CID 101477456

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine?
The IUPAC name of N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine (CID 11810656) is N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine.
What is the SMILES notation for N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine?
The canonical SMILES for N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine is CCO[Si](CCc1ccccc1/C(C)=N/C(C)(C)C)(OCC)OCC.
What is the InChIKey of N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine?
The InChIKey is JZOGHLHUYVESIY-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H35NO3Si/c1-8-22-25(23-9-2,24-10-3)16-15-18-13-11-12-14-19(18)17(4)21-20(5,6)7/h11-14H,8-10,15-16H2,1-7H3/b21-17+.
What are the key properties of N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine?
N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine has a molecular weight of 365.59 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(2-triethoxysilylethyl)phenyl]ethanimine is sourced from PubChem (CID 11810656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).