(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine

C16H25NOSi — CID 101383718

IUPAC(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccc(/N=C/C=C/[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NOSi/c1-16(2,3)19(5,6)13-7-12-17-14-8-10-15(18-4)11-9-14/h7-13H,1-6H3/b13-7+,17-12+
InChIKeyJNUGKOYAGZMAAE-MUZUHFIMSA-N
MW275.47 g/mol
LogP5.00
Rot. Bonds4

About (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine

(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine (PubChem CID 101383718) has the molecular formula C16H25NOSi and a molecular weight of 275.47 g/mol. Its IUPAC name is (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine
PubChem CID101383718
Molecular FormulaC16H25NOSi
Molecular Weight275.47 g/mol
Exact Mass275.17
IUPAC Name(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccc(/N=C/C=C/[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H25NOSi/c1-16(2,3)19(5,6)13-7-12-17-14-8-10-15(18-4)11-9-14/h7-13H,1-6H3/b13-7+,17-12+
InChIKeyJNUGKOYAGZMAAE-MUZUHFIMSA-N
XLogP5.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.47
LogP ≤ 55.00
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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Related Compounds

N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine
CID 10957339
cobalt(2+);bis((4-methoxyphenyl)-[3-(4-methoxyphenyl)iminoprop-1-enyl]azanide)
CID 50910504
4-[(E)-3-(4-methoxyphenyl)iminoprop-1-enyl]-N,N-dimethylaniline
CID 102311282
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
4-[[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]benzonitrile
CID 71626902
tert-butyl 2-(4-methoxyphenyl)iminoacetate
CID 10879093
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine
CID 10872538
1-[tert-butyl(dimethyl)silyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimine
CID 10543533
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
3,6-bis[(4-methoxyphenyl)iminomethyl]benzene-1,2-diol
CID 136775481

Frequently Asked Questions

What is the IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine (CID 101383718) is (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine is COc1ccc(/N=C/C=C/[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine?
The InChIKey is JNUGKOYAGZMAAE-MUZUHFIMSA-N. The full InChI is InChI=1S/C16H25NOSi/c1-16(2,3)19(5,6)13-7-12-17-14-8-10-15(18-4)11-9-14/h7-13H,1-6H3/b13-7+,17-12+.
What are the key properties of (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine?
(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine has a molecular weight of 275.47 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine is sourced from PubChem (CID 101383718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).