(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide

C14H19FN2 — CID 144934445

IUPAC(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide
SMILESC=C/C=N/C(=N\C)/C(=C\C=C/C)C(=C)C(C)F
InChIInChI=1S/C14H19FN2/c1-6-8-9-13(11(3)12(4)15)14(16-5)17-10-7-2/h6-10,12H,2-3H2,1,4-5H3/b8-6-,13-9+,16-14-,17-10+
InChIKeyFWIMDRVKALSSJB-FDDSQGSBSA-N
MW234.32 g/mol
LogP3.69
Rot. Bonds5

About (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide

(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide (PubChem CID 144934445) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide
PubChem CID144934445
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide
SMILESC=C/C=N/C(=N\C)/C(=C\C=C/C)C(=C)C(C)F
InChIInChI=1S/C14H19FN2/c1-6-8-9-13(11(3)12(4)15)14(16-5)17-10-7-2/h6-10,12H,2-3H2,1,4-5H3/b8-6-,13-9+,16-14-,17-10+
InChIKeyFWIMDRVKALSSJB-FDDSQGSBSA-N
XLogP3.69
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.69
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': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole
CID 156543755
N-[(2E)-2-ethenyl-1-[[(4Z)-hepta-4,6-dienylidene]amino]penta-2,4-dienylidene]cyclohexa-1,3-diene-1-carboximidamide
CID 134534413
ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
CID 142845485
ethane;(3Z)-N-ethyl-3-ethylidene-4-methylpyridin-2-imine
CID 143716390
(2E)-2-but-1-en-2-yl-N-ethylidene-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 144535800
N-[(Z)-but-2-enylidene]-N'-methyl-2-methylidenehexanimidamide
CID 155375659
6-ethyl-7,8-dihydro-6H-pyrido[2,3-b]azepine
CID 156480023
(2E,4Z)-N-ethylidene-N'-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dienimidamide
CID 169868898

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide (CID 144934445) is (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide is C=C/C=N/C(=N\C)/C(=C\C=C/C)C(=C)C(C)F.
What is the InChIKey of (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide?
The InChIKey is FWIMDRVKALSSJB-FDDSQGSBSA-N. The full InChI is InChI=1S/C14H19FN2/c1-6-8-9-13(11(3)12(4)15)14(16-5)17-10-7-2/h6-10,12H,2-3H2,1,4-5H3/b8-6-,13-9+,16-14-,17-10+.
What are the key properties of (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide?
(2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide has a molecular weight of 234.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-(3-fluorobut-1-en-2-yl)-N'-methyl-N-prop-2-enylidenehexa-2,4-dienimidamide is sourced from PubChem (CID 144934445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).