N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide

C11H17FN2 — CID 170031327

IUPACN-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
SMILESC/C=C(C)\C=C(F)/C(C)=N/C(C)=N/C
InChIInChI=1S/C11H17FN2/c1-6-8(2)7-11(12)9(3)14-10(4)13-5/h6-7H,1-5H3/b8-6-,11-7+,13-10+,14-9+
InChIKeyVJGBFJZOXDXUQL-CEQYWUMWSA-N
MW196.27 g/mol
LogP3.32
Rot. Bonds2

About N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide

N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide (PubChem CID 170031327) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
PubChem CID170031327
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide
SMILESC/C=C(C)\C=C(F)/C(C)=N/C(C)=N/C
InChIInChI=1S/C11H17FN2/c1-6-8(2)7-11(12)9(3)14-10(4)13-5/h6-7H,1-5H3/b8-6-,11-7+,13-10+,14-9+
InChIKeyVJGBFJZOXDXUQL-CEQYWUMWSA-N
XLogP3.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 53.32
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide?
The IUPAC name of N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide (CID 170031327) is N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide is C/C=C(C)\C=C(F)/C(C)=N/C(C)=N/C.
What is the InChIKey of N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide?
The InChIKey is VJGBFJZOXDXUQL-CEQYWUMWSA-N. The full InChI is InChI=1S/C11H17FN2/c1-6-8(2)7-11(12)9(3)14-10(4)13-5/h6-7H,1-5H3/b8-6-,11-7+,13-10+,14-9+.
What are the key properties of N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide?
N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide has a molecular weight of 196.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-3-fluoro-5-methylhepta-3,5-dien-2-ylidene]-N'-methylethanimidamide is sourced from PubChem (CID 170031327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).