(1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine

C18H23FN4 — CID 89331554

IUPAC(1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine
SMILESC=C/C=C(\C=C/N)C(/C(=C)N(C)C)=C(/NN)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4/c1-5-6-14(11-12-20)17(13(2)23(3)4)18(22-21)15-7-9-16(19)10-8-15/h5-12,22H,1-2,20-21H2,3-4H3/b12-11-,14-6+,18-17+
InChIKeyPJIMKBYXJAOMOU-XFMJHTILSA-N
MW314.41 g/mol
LogP2.66
Rot. Bonds7

About (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine

(1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine (PubChem CID 89331554) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine
PubChem CID89331554
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name(1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine
SMILESC=C/C=C(\C=C/N)C(/C(=C)N(C)C)=C(/NN)c1ccc(F)cc1
InChIInChI=1S/C18H23FN4/c1-5-6-14(11-12-20)17(13(2)23(3)4)18(22-21)15-7-9-16(19)10-8-15/h5-12,22H,1-2,20-21H2,3-4H3/b12-11-,14-6+,18-17+
InChIKeyPJIMKBYXJAOMOU-XFMJHTILSA-N
XLogP2.66
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine?
The IUPAC name of (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine (CID 89331554) is (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine?
The canonical SMILES for (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine is C=C/C=C(\C=C/N)C(/C(=C)N(C)C)=C(/NN)c1ccc(F)cc1.
What is the InChIKey of (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine?
The InChIKey is PJIMKBYXJAOMOU-XFMJHTILSA-N. The full InChI is InChI=1S/C18H23FN4/c1-5-6-14(11-12-20)17(13(2)23(3)4)18(22-21)15-7-9-16(19)10-8-15/h5-12,22H,1-2,20-21H2,3-4H3/b12-11-,14-6+,18-17+.
What are the key properties of (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine?
(1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine has a molecular weight of 314.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-4-[(4-fluorophenyl)-hydrazinylmethylidene]-5-N,5-N-dimethyl-3-prop-2-enylidenehexa-1,5-diene-1,5-diamine is sourced from PubChem (CID 89331554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).