2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane

C15H27NSi — CID 67906861

IUPAC2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane
SMILESC=C1CC(C#C[Si](C)(C)C)NC(C(C)CC)C1
InChIInChI=1S/C15H27NSi/c1-7-13(3)15-11-12(2)10-14(16-15)8-9-17(4,5)6/h13-16H,2,7,10-11H2,1,3-6H3
InChIKeyXJGNVHZUKRDZSH-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.59
Rot. Bonds2

About 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane

2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane (PubChem CID 67906861) has the molecular formula C15H27NSi and a molecular weight of 249.47 g/mol. Its IUPAC name is 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane
PubChem CID67906861
Molecular FormulaC15H27NSi
Molecular Weight249.47 g/mol
Exact Mass249.19
IUPAC Name2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane
SMILESC=C1CC(C#C[Si](C)(C)C)NC(C(C)CC)C1
InChIInChI=1S/C15H27NSi/c1-7-13(3)15-11-12(2)10-14(16-15)8-9-17(4,5)6/h13-16H,2,7,10-11H2,1,3-6H3
InChIKeyXJGNVHZUKRDZSH-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane (CID 67906861) is 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane is C=C1CC(C#C[Si](C)(C)C)NC(C(C)CC)C1.
What is the InChIKey of 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane?
The InChIKey is XJGNVHZUKRDZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NSi/c1-7-13(3)15-11-12(2)10-14(16-15)8-9-17(4,5)6/h13-16H,2,7,10-11H2,1,3-6H3.
What are the key properties of 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane?
2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane has a molecular weight of 249.47 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-butan-2-yl-4-methylidenepiperidin-2-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 67906861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).