2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline

C16H27NOSi — CID 15835341

IUPAC2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1ccccc1NC
InChIInChI=1S/C16H27NOSi/c1-8-15(18-19(6,7)16(2,3)4)13-11-9-10-12-14(13)17-5/h8-12,15,17H,1H2,2-7H3
InChIKeyDNPGSZPCMTZEOK-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.98
Rot. Bonds5

About 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline

2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline (PubChem CID 15835341) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline.

Molecular Properties

Compound Name2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline
PubChem CID15835341
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline
SMILESC=CC(O[Si](C)(C)C(C)(C)C)c1ccccc1NC
InChIInChI=1S/C16H27NOSi/c1-8-15(18-19(6,7)16(2,3)4)13-11-9-10-12-14(13)17-5/h8-12,15,17H,1H2,2-7H3
InChIKeyDNPGSZPCMTZEOK-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline?
The IUPAC name of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline (CID 15835341) is 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline.
What is the SMILES notation for 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline?
The canonical SMILES for 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline is C=CC(O[Si](C)(C)C(C)(C)C)c1ccccc1NC.
What is the InChIKey of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline?
The InChIKey is DNPGSZPCMTZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-8-15(18-19(6,7)16(2,3)4)13-11-9-10-12-14(13)17-5/h8-12,15,17H,1H2,2-7H3.
What are the key properties of 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline?
2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline has a molecular weight of 277.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-N-methylaniline is sourced from PubChem (CID 15835341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).