N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine

C13H17NSi — CID 19927073

IUPACN-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine
SMILESC#CC/N=C/c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C13H17NSi/c1-5-9-14-11-12-7-6-8-13(10-12)15(2,3)4/h1,6-8,10-11H,9H2,2-4H3/b14-11+
InChIKeyFSHYCTZPLIIPHV-SDNWHVSQSA-N
MW215.37 g/mol
LogP2.28
Rot. Bonds3

About N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine

N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine (PubChem CID 19927073) has the molecular formula C13H17NSi and a molecular weight of 215.37 g/mol. Its IUPAC name is N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine.

Molecular Properties

Compound NameN-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine
PubChem CID19927073
Molecular FormulaC13H17NSi
Molecular Weight215.37 g/mol
Exact Mass215.11
IUPAC NameN-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine
SMILESC#CC/N=C/c1cccc([Si](C)(C)C)c1
InChIInChI=1S/C13H17NSi/c1-5-9-14-11-12-7-6-8-13(10-12)15(2,3)4/h1,6-8,10-11H,9H2,2-4H3/b14-11+
InChIKeyFSHYCTZPLIIPHV-SDNWHVSQSA-N
XLogP2.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine?
The IUPAC name of N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine (CID 19927073) is N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine.
What is the SMILES notation for N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine?
The canonical SMILES for N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine is C#CC/N=C/c1cccc([Si](C)(C)C)c1.
What is the InChIKey of N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine?
The InChIKey is FSHYCTZPLIIPHV-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H17NSi/c1-5-9-14-11-12-7-6-8-13(10-12)15(2,3)4/h1,6-8,10-11H,9H2,2-4H3/b14-11+.
What are the key properties of N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine?
N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine has a molecular weight of 215.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-1-(3-trimethylsilylphenyl)methanimine is sourced from PubChem (CID 19927073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).