(4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine

C15H21NSi — CID 15712021

IUPAC(4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine
SMILESC/C=C/CC(=C=Nc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H21NSi/c1-5-6-12-15(17(2,3)4)13-16-14-10-8-7-9-11-14/h5-11H,12H2,1-4H3/b6-5+
InChIKeyKKPLXRJLJRULHO-AATRIKPKSA-N
MW243.43 g/mol
LogP4.76
Rot. Bonds4

About (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine

(4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine (PubChem CID 15712021) has the molecular formula C15H21NSi and a molecular weight of 243.43 g/mol. Its IUPAC name is (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine.

Molecular Properties

Compound Name(4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine
PubChem CID15712021
Molecular FormulaC15H21NSi
Molecular Weight243.43 g/mol
Exact Mass243.14
IUPAC Name(4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine
SMILESC/C=C/CC(=C=Nc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C15H21NSi/c1-5-6-12-15(17(2,3)4)13-16-14-10-8-7-9-11-14/h5-11H,12H2,1-4H3/b6-5+
InChIKeyKKPLXRJLJRULHO-AATRIKPKSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.76
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine?
The IUPAC name of (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine (CID 15712021) is (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine.
What is the SMILES notation for (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine?
The canonical SMILES for (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine is C/C=C/CC(=C=Nc1ccccc1)[Si](C)(C)C.
What is the InChIKey of (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine?
The InChIKey is KKPLXRJLJRULHO-AATRIKPKSA-N. The full InChI is InChI=1S/C15H21NSi/c1-5-6-12-15(17(2,3)4)13-16-14-10-8-7-9-11-14/h5-11H,12H2,1-4H3/b6-5+.
What are the key properties of (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine?
(4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine has a molecular weight of 243.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-phenyl-2-trimethylsilylhexa-1,4-dien-1-imine is sourced from PubChem (CID 15712021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).