N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine

C15H18F3N — CID 89261134

IUPACN-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCC/C(C)=C(C)/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N/c1-5-10(2)11(3)19-12(4)13-6-8-14(9-7-13)15(16,17)18/h6-9H,5H2,1-4H3/b11-10+,19-12+
InChIKeyLSYVIRMQUCQIPD-OFAWCBBISA-N
MW269.31 g/mol
LogP5.22
Rot. Bonds3

About N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine

N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 89261134) has the molecular formula C15H18F3N and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID89261134
Molecular FormulaC15H18F3N
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCC/C(C)=C(C)/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3N/c1-5-10(2)11(3)19-12(4)13-6-8-14(9-7-13)15(16,17)18/h6-9H,5H2,1-4H3/b11-10+,19-12+
InChIKeyLSYVIRMQUCQIPD-OFAWCBBISA-N
XLogP5.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.31
LogP ≤ 55.22
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 N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 89261134) is N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine is CC/C(C)=C(C)/N=C(\C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is LSYVIRMQUCQIPD-OFAWCBBISA-N. The full InChI is InChI=1S/C15H18F3N/c1-5-10(2)11(3)19-12(4)13-6-8-14(9-7-13)15(16,17)18/h6-9H,5H2,1-4H3/b11-10+,19-12+.
What are the key properties of N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine?
N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 269.31 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methylpent-2-en-2-yl]-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 89261134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).