N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide

C11H17FN2 — CID 155728900

IUPACN'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide
SMILESC=C(C/N=C(\C)N)/C(C)=C\C(F)=C/C
InChIInChI=1S/C11H17FN2/c1-5-11(12)6-8(2)9(3)7-14-10(4)13/h5-6H,3,7H2,1-2,4H3,(H2,13,14)/b8-6-,11-5+
InChIKeyUIYHJHHOEQYKSW-QHPKLMRPSA-N
MW196.27 g/mol
LogP2.74
Rot. Bonds4

About N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide

N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide (PubChem CID 155728900) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide
PubChem CID155728900
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide
SMILESC=C(C/N=C(\C)N)/C(C)=C\C(F)=C/C
InChIInChI=1S/C11H17FN2/c1-5-11(12)6-8(2)9(3)7-14-10(4)13/h5-6H,3,7H2,1-2,4H3,(H2,13,14)/b8-6-,11-5+
InChIKeyUIYHJHHOEQYKSW-QHPKLMRPSA-N
XLogP2.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.74
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide?
The IUPAC name of N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide (CID 155728900) is N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide.
What is the SMILES notation for N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide?
The canonical SMILES for N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide is C=C(C/N=C(\C)N)/C(C)=C\C(F)=C/C.
What is the InChIKey of N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide?
The InChIKey is UIYHJHHOEQYKSW-QHPKLMRPSA-N. The full InChI is InChI=1S/C11H17FN2/c1-5-11(12)6-8(2)9(3)7-14-10(4)13/h5-6H,3,7H2,1-2,4H3,(H2,13,14)/b8-6-,11-5+.
What are the key properties of N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide?
N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide has a molecular weight of 196.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z,5E)-5-fluoro-3-methyl-2-methylidenehepta-3,5-dienyl]ethanimidamide is sourced from PubChem (CID 155728900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).