N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide

C17H25FN2 — CID 139418781

IUPACN'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
SMILESC=C/C(=C\C)N/C(CCC)=N/C(=C/C=C\CF)C(=C)C
InChIInChI=1S/C17H25FN2/c1-6-11-17(19-15(7-2)8-3)20-16(14(4)5)12-9-10-13-18/h7-10,12H,2,4,6,11,13H2,1,3,5H3,(H,19,20)/b10-9-,15-8+,16-12+
InChIKeyAOOTZWIYJWEVML-ZGDKCSANSA-N
MW276.40 g/mol
LogP4.85
Rot. Bonds8

About N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide

N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide (PubChem CID 139418781) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide.

Molecular Properties

Compound NameN'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
PubChem CID139418781
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
SMILESC=C/C(=C\C)N/C(CCC)=N/C(=C/C=C\CF)C(=C)C
InChIInChI=1S/C17H25FN2/c1-6-11-17(19-15(7-2)8-3)20-16(14(4)5)12-9-10-13-18/h7-10,12H,2,4,6,11,13H2,1,3,5H3,(H,19,20)/b10-9-,15-8+,16-12+
InChIKeyAOOTZWIYJWEVML-ZGDKCSANSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.85
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'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide 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 N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide?
The IUPAC name of N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide (CID 139418781) is N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide.
What is the SMILES notation for N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide?
The canonical SMILES for N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide is C=C/C(=C\C)N/C(CCC)=N/C(=C/C=C\CF)C(=C)C.
What is the InChIKey of N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide?
The InChIKey is AOOTZWIYJWEVML-ZGDKCSANSA-N. The full InChI is InChI=1S/C17H25FN2/c1-6-11-17(19-15(7-2)8-3)20-16(14(4)5)12-9-10-13-18/h7-10,12H,2,4,6,11,13H2,1,3,5H3,(H,19,20)/b10-9-,15-8+,16-12+.
What are the key properties of N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide?
N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide has a molecular weight of 276.40 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide is sourced from PubChem (CID 139418781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).