2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine

C13H19FN2 — CID 169149259

IUPAC2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
SMILESCC/C=C\C=C(\F)CC1NC(N)=CC=C1C
InChIInChI=1S/C13H19FN2/c1-3-4-5-6-11(14)9-12-10(2)7-8-13(15)16-12/h4-8,12,16H,3,9,15H2,1-2H3/b5-4-,11-6+
InChIKeyWHCIPURKNOYUGK-UMEJXRAUSA-N
MW222.31 g/mol
LogP2.91
Rot. Bonds4

About 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine

2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine (PubChem CID 169149259) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
PubChem CID169149259
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
SMILESCC/C=C\C=C(\F)CC1NC(N)=CC=C1C
InChIInChI=1S/C13H19FN2/c1-3-4-5-6-11(14)9-12-10(2)7-8-13(15)16-12/h4-8,12,16H,3,9,15H2,1-2H3/b5-4-,11-6+
InChIKeyWHCIPURKNOYUGK-UMEJXRAUSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
CID 89473310
(1S)-1-N-[(Z)-3-fluoroprop-1-enyl]-1-N'-[(E)-3-methylpent-3-en-2-yl]ethane-1,1-diamine
CID 121280768
2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine
CID 134448196
5-[2-(5-Amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine
CID 138718912
5-Fluoro-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,2-dihydropyridine
CID 141810236
1-(6-fluoro-2-methyl-1,2-dihydropyridin-5-yl)-N'-[(Z)-2-methylbut-1-enyl]methanediamine
CID 141810241
(2E)-4-fluoro-3-methyl-2-(6-methylidene-2,3-dihydro-1H-pyrimidin-4-yl)penta-2,4-dien-1-amine
CID 144790040
(5E)-3-ethyl-5-(1-fluoroprop-2-enylidene)-N,2,6-trimethyl-1,2-dihydropyridin-6-amine
CID 146333372
(Z)-3-methyl-1-N-propan-2-yl-1-N'-[(3E,5Z)-8,8,8-trifluoro-3-methylocta-3,5-dien-2-yl]but-1-ene-1,1-diamine
CID 146583215
(3E,5Z,7E)-6-fluoro-3-methyl-2-N-propan-2-yldeca-1,3,5,7-tetraene-2,5-diamine
CID 153577901
(Z)-N-ethenyl-1-(6-fluoro-1,2-dihydropyridin-5-yl)pent-1-en-1-amine
CID 155228813
1-N'-[(2E,3E,5E)-3,5-difluoro-2-propylidenehepta-3,5-dienyl]ethene-1,1-diamine
CID 155728285

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine?
The IUPAC name of 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine (CID 169149259) is 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine?
The canonical SMILES for 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine is CC/C=C\C=C(\F)CC1NC(N)=CC=C1C.
What is the InChIKey of 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine?
The InChIKey is WHCIPURKNOYUGK-UMEJXRAUSA-N. The full InChI is InChI=1S/C13H19FN2/c1-3-4-5-6-11(14)9-12-10(2)7-8-13(15)16-12/h4-8,12,16H,3,9,15H2,1-2H3/b5-4-,11-6+.
What are the key properties of 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine?
2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine has a molecular weight of 222.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 169149259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).