(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide

C19H22FN3 — CID 165410656

IUPAC(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
SMILES[H]/N=C(/C=c1\cc(F)cc\c1=C1/C=C(C)NC(C(=C)C)=C1)N(C)C
InChIInChI=1S/C19H22FN3/c1-12(2)18-10-14(8-13(3)22-18)17-7-6-16(20)9-15(17)11-19(21)23(4)5/h6-11,21-22H,1H2,2-5H3/b15-11+,17-14-,21-19-
InChIKeyUHXPDZOELFNHHT-KWBPXXDYSA-N
MW311.40 g/mol
LogP2.26
Rot. Bonds2

About (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide

(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide (PubChem CID 165410656) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide.

Molecular Properties

Compound Name(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
PubChem CID165410656
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide
SMILES[H]/N=C(/C=c1\cc(F)cc\c1=C1/C=C(C)NC(C(=C)C)=C1)N(C)C
InChIInChI=1S/C19H22FN3/c1-12(2)18-10-14(8-13(3)22-18)17-7-6-16(20)9-15(17)11-19(21)23(4)5/h6-11,21-22H,1H2,2-5H3/b15-11+,17-14-,21-19-
InChIKeyUHXPDZOELFNHHT-KWBPXXDYSA-N
XLogP2.26
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide with MolForge

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Related Compounds

(2Z,4E,6E)-3-[[(2E,4E)-2-ethenyl-5-fluorohexa-2,4-dienyl]amino]-6-fluoro-4-methylocta-2,4,6-trienimidamide
CID 163864124
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
1-But-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
CID 123811988
ethane;(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
CID 144559577
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177
(2Z)-2-(6-ethyl-4-methyl-1H-pyridin-2-ylidene)-N,N-dimethylethanimidamide
CID 144559578
(3E)-3-[3-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-1H-pyridin-4-ylidene]-1-methyl-2H-pyridin-6-imine
CID 177355498

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide?
The IUPAC name of (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide (CID 165410656) is (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide.
What is the SMILES notation for (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide?
The canonical SMILES for (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide is [H]/N=C(/C=c1\cc(F)cc\c1=C1/C=C(C)NC(C(=C)C)=C1)N(C)C.
What is the InChIKey of (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide?
The InChIKey is UHXPDZOELFNHHT-KWBPXXDYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-12(2)18-10-14(8-13(3)22-18)17-7-6-16(20)9-15(17)11-19(21)23(4)5/h6-11,21-22H,1H2,2-5H3/b15-11+,17-14-,21-19-.
What are the key properties of (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide?
(2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide has a molecular weight of 311.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(6Z)-3-fluoro-6-(2-methyl-6-prop-1-en-2-yl-1H-pyridin-4-ylidene)cyclohexa-2,4-dien-1-ylidene]-N,N-dimethylethanimidamide is sourced from PubChem (CID 165410656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).