N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide

C15H19FN2 — CID 123365498

IUPACN-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide
SMILESC=C(C)C/C=C/N=C(\C)N(C)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2/c1-12(2)6-5-11-17-13(3)18(4)15-9-7-14(16)8-10-15/h5,7-11H,1,6H2,2-4H3/b11-5+,17-13+
InChIKeyLEDMWYDOOYFHOB-IXAZELJASA-N
MW246.33 g/mol
LogP4.16
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide

N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide (PubChem CID 123365498) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide
PubChem CID123365498
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC NameN-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide
SMILESC=C(C)C/C=C/N=C(\C)N(C)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2/c1-12(2)6-5-11-17-13(3)18(4)15-9-7-14(16)8-10-15/h5,7-11H,1,6H2,2-4H3/b11-5+,17-13+
InChIKeyLEDMWYDOOYFHOB-IXAZELJASA-N
XLogP4.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide (CID 123365498) is N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide is C=C(C)C/C=C/N=C(\C)N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide?
The InChIKey is LEDMWYDOOYFHOB-IXAZELJASA-N. The full InChI is InChI=1S/C15H19FN2/c1-12(2)6-5-11-17-13(3)18(4)15-9-7-14(16)8-10-15/h5,7-11H,1,6H2,2-4H3/b11-5+,17-13+.
What are the key properties of N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide?
N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide has a molecular weight of 246.33 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-N'-[(1E)-4-methylpenta-1,4-dienyl]ethanimidamide is sourced from PubChem (CID 123365498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).