1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine

C16H27NOSi — CID 66693822

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
SMILESC=CC(N)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NOSi/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7-12,14-15H,1,17H2,2-6H3
InChIKeyPQCAXCTXUCXJSL-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.26
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine

1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine (PubChem CID 66693822) has the molecular formula C16H27NOSi and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
PubChem CID66693822
Molecular FormulaC16H27NOSi
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
SMILESC=CC(N)C(O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H27NOSi/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7-12,14-15H,1,17H2,2-6H3
InChIKeyPQCAXCTXUCXJSL-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 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 ≤ 54.26
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 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine (CID 66693822) is 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine is C=CC(N)C(O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
The InChIKey is PQCAXCTXUCXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOSi/c1-7-14(17)15(13-11-9-8-10-12-13)18-19(5,6)16(2,3)4/h7-12,14-15H,1,17H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine?
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine is sourced from PubChem (CID 66693822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).