(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine

C15H18FN3 — CID 89331468

IUPAC(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)CC(=NNC)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-3-4-12(9-10-17)11-15(19-18-2)13-5-7-14(16)8-6-13/h3-10,18H,1,11,17H2,2H3/b10-9-,12-4+,19-15?
InChIKeyVSHPHJDWJFLPJO-BWKBVLSRSA-N
MW259.33 g/mol
LogP2.72
Rot. Bonds6

About (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine

(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine (PubChem CID 89331468) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine
PubChem CID89331468
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)CC(=NNC)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-3-4-12(9-10-17)11-15(19-18-2)13-5-7-14(16)8-6-13/h3-10,18H,1,11,17H2,2H3/b10-9-,12-4+,19-15?
InChIKeyVSHPHJDWJFLPJO-BWKBVLSRSA-N
XLogP2.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine (CID 89331468) is (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)CC(=NNC)c1ccc(F)cc1.
What is the InChIKey of (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine?
The InChIKey is VSHPHJDWJFLPJO-BWKBVLSRSA-N. The full InChI is InChI=1S/C15H18FN3/c1-3-4-12(9-10-17)11-15(19-18-2)13-5-7-14(16)8-6-13/h3-10,18H,1,11,17H2,2H3/b10-9-,12-4+,19-15?.
What are the key properties of (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine has a molecular weight of 259.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-[2-(4-fluorophenyl)-2-(methylhydrazinylidene)ethyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89331468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).