1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine

C15H27NOSSi — CID 102137632

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)NCc1cccs1
InChIInChI=1S/C15H27NOSSi/c1-7-13(16-11-14-9-8-10-18-14)12-17-19(5,6)15(2,3)4/h7-10,13,16H,1,11-12H2,2-6H3
InChIKeyGHYKBHUFRXRMRA-UHFFFAOYSA-N
MW297.54 g/mol
LogP4.41
Rot. Bonds7

About 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine

1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine (PubChem CID 102137632) has the molecular formula C15H27NOSSi and a molecular weight of 297.54 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine
PubChem CID102137632
Molecular FormulaC15H27NOSSi
Molecular Weight297.54 g/mol
Exact Mass297.16
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)NCc1cccs1
InChIInChI=1S/C15H27NOSSi/c1-7-13(16-11-14-9-8-10-18-14)12-17-19(5,6)15(2,3)4/h7-10,13,16H,1,11-12H2,2-6H3
InChIKeyGHYKBHUFRXRMRA-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-(thiophen-2-ylmethyl)but-3-en-2-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine (CID 102137632) is 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine is C=CC(CO[Si](C)(C)C(C)(C)C)NCc1cccs1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine?
The InChIKey is GHYKBHUFRXRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NOSSi/c1-7-13(16-11-14-9-8-10-18-14)12-17-19(5,6)15(2,3)4/h7-10,13,16H,1,11-12H2,2-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine?
1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine has a molecular weight of 297.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-N-(thiophen-2-ylmethyl)but-3-en-2-amine is sourced from PubChem (CID 102137632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).