(E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine

C16H20FN3 — CID 143488771

IUPAC(E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine
SMILESC=CCN/N=C(\C/C=C(\C)NC=C)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-4-12-19-20-16(11-6-13(3)18-5-2)14-7-9-15(17)10-8-14/h4-10,18-19H,1-2,11-12H2,3H3/b13-6+,20-16+
InChIKeyVMROVJLSIWTLSZ-KWXXRHKHSA-N
MW273.36 g/mol
LogP3.33
Rot. Bonds8

About (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine

(E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine (PubChem CID 143488771) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine.

Molecular Properties

Compound Name(E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine
PubChem CID143488771
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name(E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine
SMILESC=CCN/N=C(\C/C=C(\C)NC=C)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3/c1-4-12-19-20-16(11-6-13(3)18-5-2)14-7-9-15(17)10-8-14/h4-10,18-19H,1-2,11-12H2,3H3/b13-6+,20-16+
InChIKeyVMROVJLSIWTLSZ-KWXXRHKHSA-N
XLogP3.33
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-phenylethylideneamino]propan-2-amine
CID 14685416
3-(4-Fluorophenyl)-1,4,5,6-tetrahydropyridazine
CID 10678885
3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 13143699
N-[(Z)-[2-(4-fluorophenyl)-1-phenylethylidene]amino]propan-2-amine
CID 13768488
3-(2-fluorophenyl)-4,5-dihydro-1H-pyrazole
CID 22605871
6-methylidene-3-(3,4,5-trifluorophenyl)-1H-pyridazine
CID 68274500
(4E)-4-ethylidene-3-(4-fluorophenyl)-5-methylidene-1H-pyrazole
CID 71190810
N-[[2-(4-fluorophenyl)-1-phenylethylidene]amino]propan-2-amine
CID 85586690
4-[N'-(1-methyl-3-(3-fluorophenyl)-propylidene)-hydrazino]-1H-pyridin-2-one
CID 86663146
4-[(2E)-2-[4-(3-fluorophenyl)butan-2-ylidene]hydrazinyl]-1H-pyridin-2-one
CID 87107419
(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine
CID 89331468
2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol
CID 89331471

Frequently Asked Questions

What is the IUPAC name of (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine?
The IUPAC name of (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine (CID 143488771) is (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine.
What is the SMILES notation for (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine?
The canonical SMILES for (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine is C=CCN/N=C(\C/C=C(\C)NC=C)c1ccc(F)cc1.
What is the InChIKey of (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine?
The InChIKey is VMROVJLSIWTLSZ-KWXXRHKHSA-N. The full InChI is InChI=1S/C16H20FN3/c1-4-12-19-20-16(11-6-13(3)18-5-2)14-7-9-15(17)10-8-14/h4-10,18-19H,1-2,11-12H2,3H3/b13-6+,20-16+.
What are the key properties of (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine?
(E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-N-ethenyl-5-(4-fluorophenyl)-5-(prop-2-enylhydrazinylidene)pent-2-en-2-amine is sourced from PubChem (CID 143488771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).