N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide

C14H19FN2 — CID 142120019

IUPACN'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide
SMILESC=C/C=C(C)\C=C(\F)C/C(C)=C/N=C(\C)N=C
InChIInChI=1S/C14H19FN2/c1-6-7-11(2)8-14(15)9-12(3)10-17-13(4)16-5/h6-8,10H,1,5,9H2,2-4H3/b11-7-,12-10+,14-8+,17-13+
InChIKeyZBLTVAVVFKPDON-LFIIMMLMSA-N
MW234.32 g/mol
LogP4.39
Rot. Bonds5

About N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide

N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide (PubChem CID 142120019) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide.

Molecular Properties

Compound NameN'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide
PubChem CID142120019
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC NameN'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide
SMILESC=C/C=C(C)\C=C(\F)C/C(C)=C/N=C(\C)N=C
InChIInChI=1S/C14H19FN2/c1-6-7-11(2)8-14(15)9-12(3)10-17-13(4)16-5/h6-8,10H,1,5,9H2,2-4H3/b11-7-,12-10+,14-8+,17-13+
InChIKeyZBLTVAVVFKPDON-LFIIMMLMSA-N
XLogP4.39
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 ≤ 54.39
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'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide?
The IUPAC name of N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide (CID 142120019) is N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide.
What is the SMILES notation for N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide?
The canonical SMILES for N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide is C=C/C=C(C)\C=C(\F)C/C(C)=C/N=C(\C)N=C.
What is the InChIKey of N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide?
The InChIKey is ZBLTVAVVFKPDON-LFIIMMLMSA-N. The full InChI is InChI=1S/C14H19FN2/c1-6-7-11(2)8-14(15)9-12(3)10-17-13(4)16-5/h6-8,10H,1,5,9H2,2-4H3/b11-7-,12-10+,14-8+,17-13+.
What are the key properties of N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide?
N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide has a molecular weight of 234.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E,4E,6Z)-4-fluoro-2,6-dimethylnona-1,4,6,8-tetraenyl]-N-methylideneethanimidamide is sourced from PubChem (CID 142120019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).