N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine

C12H25NSi — CID 2733575

IUPACN-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine
SMILESCC(=C/C=N/C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C12H25NSi/c1-11(10-14(5,6)7)8-9-13-12(2,3)4/h8-9H,10H2,1-7H3/b11-8?,13-9+
InChIKeyBOLUBIYKJJKYQE-JGVUFJOKSA-N
MW211.42 g/mol
LogP4.14
Rot. Bonds3

About N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine

N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine (PubChem CID 2733575) has the molecular formula C12H25NSi and a molecular weight of 211.42 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine
PubChem CID2733575
Molecular FormulaC12H25NSi
Molecular Weight211.42 g/mol
Exact Mass211.18
IUPAC NameN-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine
SMILESCC(=C/C=N/C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C12H25NSi/c1-11(10-14(5,6)7)8-9-13-12(2,3)4/h8-9H,10H2,1-7H3/b11-8?,13-9+
InChIKeyBOLUBIYKJJKYQE-JGVUFJOKSA-N
XLogP4.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.42
LogP ≤ 54.14
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'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine?
The IUPAC name of N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine (CID 2733575) is N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine.
What is the SMILES notation for N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine?
The canonical SMILES for N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine is CC(=C/C=N/C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine?
The InChIKey is BOLUBIYKJJKYQE-JGVUFJOKSA-N. The full InChI is InChI=1S/C12H25NSi/c1-11(10-14(5,6)7)8-9-13-12(2,3)4/h8-9H,10H2,1-7H3/b11-8?,13-9+.
What are the key properties of N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine?
N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine has a molecular weight of 211.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-4-trimethylsilylbut-2-en-1-imine is sourced from PubChem (CID 2733575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).