1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine

C15H21N — CID 129173680

IUPAC1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine
SMILESC=Cc1cc(C(C)(C)C)ccc1/C(C)=N/C
InChIInChI=1S/C15H21N/c1-7-12-10-13(15(3,4)5)8-9-14(12)11(2)16-6/h7-10H,1H2,2-6H3/b16-11+
InChIKeyATKJJFGVFHZCCX-LFIBNONCSA-N
MW215.34 g/mol
LogP4.07
Rot. Bonds2

About 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine

1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine (PubChem CID 129173680) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine.

Molecular Properties

Compound Name1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine
PubChem CID129173680
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine
SMILESC=Cc1cc(C(C)(C)C)ccc1/C(C)=N/C
InChIInChI=1S/C15H21N/c1-7-12-10-13(15(3,4)5)8-9-14(12)11(2)16-6/h7-10H,1H2,2-6H3/b16-11+
InChIKeyATKJJFGVFHZCCX-LFIBNONCSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine?
The IUPAC name of 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine (CID 129173680) is 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine.
What is the SMILES notation for 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine?
The canonical SMILES for 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine is C=Cc1cc(C(C)(C)C)ccc1/C(C)=N/C.
What is the InChIKey of 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine?
The InChIKey is ATKJJFGVFHZCCX-LFIBNONCSA-N. The full InChI is InChI=1S/C15H21N/c1-7-12-10-13(15(3,4)5)8-9-14(12)11(2)16-6/h7-10H,1H2,2-6H3/b16-11+.
What are the key properties of 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine?
1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine has a molecular weight of 215.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-ethenylphenyl)-N-methylethanimine is sourced from PubChem (CID 129173680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).