N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide

C9H15FN2 — CID 142309219

IUPACN'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide
SMILESCC/N=C/N/C=C\C(C)=C\CF
InChIInChI=1S/C9H15FN2/c1-3-11-8-12-7-5-9(2)4-6-10/h4-5,7-8H,3,6H2,1-2H3,(H,11,12)/b7-5-,9-4+
InChIKeyQQHJSELYMOQNRJ-YQDRFQIPSA-N
MW170.23 g/mol
LogP2.05
Rot. Bonds5

About N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide

N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide (PubChem CID 142309219) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide
PubChem CID142309219
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC NameN'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide
SMILESCC/N=C/N/C=C\C(C)=C\CF
InChIInChI=1S/C9H15FN2/c1-3-11-8-12-7-5-9(2)4-6-10/h4-5,7-8H,3,6H2,1-2H3,(H,11,12)/b7-5-,9-4+
InChIKeyQQHJSELYMOQNRJ-YQDRFQIPSA-N
XLogP2.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
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 N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide 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

(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine
CID 88880534
N-[(1E,3E)-4-amino-2-(fluoromethyl)buta-1,3-dienyl]-N'-(2,2,2-trifluoroethyl)methanimidamide
CID 144676313
2-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-1-(2-methylprop-1-enyl)guanidine
CID 154981699
(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
CID 173810774
N-[(1E,3E)-hexa-1,3-dienyl]-N'-methylmethanimidamide
CID 89224939
N-ethenyl-N'-(2-methylbut-1-enyl)methanimidamide
CID 123240778
N-[(1Z)-buta-1,3-dienyl]-N'-(2-methylprop-1-enyl)methanimidamide
CID 123393080
(4E)-7-ethylidene-1,6-dihydro-1,3-diazonine
CID 123502113
N-(2-methylbuta-1,3-dienyl)-N'-(2-methylprop-1-enyl)methanimidamide
CID 123669417
N'-methyl-N-[(1E)-penta-1,3-dienyl]methanimidamide
CID 123737972
N'-methyl-N-[(1Z,3E)-penta-1,3-dienyl]methanimidamide
CID 134576696
N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 135264614

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide (CID 142309219) is N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide is CC/N=C/N/C=C\C(C)=C\CF.
What is the InChIKey of N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide?
The InChIKey is QQHJSELYMOQNRJ-YQDRFQIPSA-N. The full InChI is InChI=1S/C9H15FN2/c1-3-11-8-12-7-5-9(2)4-6-10/h4-5,7-8H,3,6H2,1-2H3,(H,11,12)/b7-5-,9-4+.
What are the key properties of N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide?
N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide has a molecular weight of 170.23 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(1Z,3E)-5-fluoro-3-methylpenta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 142309219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).