3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine

C21H34FN3 — CID 137247884

IUPAC3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
SMILESCNC1C=CNC(C)=C1/C=N/C(C)/C(C)=C/C(C)=C/CCC(C)(C)F
InChIInChI=1S/C21H34FN3/c1-15(9-8-11-21(5,6)22)13-16(2)17(3)25-14-19-18(4)24-12-10-20(19)23-7/h9-10,12-14,17,20,23-24H,8,11H2,1-7H3/b15-9+,16-13+,25-14+
InChIKeyWTFJJPZHYDGRRG-GIXUSPFSSA-N
MW347.52 g/mol
LogP4.85
Rot. Bonds8

About 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine

3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine (PubChem CID 137247884) has the molecular formula C21H34FN3 and a molecular weight of 347.52 g/mol. Its IUPAC name is 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine.

Molecular Properties

Compound Name3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
PubChem CID137247884
Molecular FormulaC21H34FN3
Molecular Weight347.52 g/mol
Exact Mass347.27
IUPAC Name3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine
SMILESCNC1C=CNC(C)=C1/C=N/C(C)/C(C)=C/C(C)=C/CCC(C)(C)F
InChIInChI=1S/C21H34FN3/c1-15(9-8-11-21(5,6)22)13-16(2)17(3)25-14-19-18(4)24-12-10-20(19)23-7/h9-10,12-14,17,20,23-24H,8,11H2,1-7H3/b15-9+,16-13+,25-14+
InChIKeyWTFJJPZHYDGRRG-GIXUSPFSSA-N
XLogP4.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-N-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-5-[[(Z)-2-fluoro-3-(propylamino)but-2-enylidene]amino]pent-1-ene-1,2-diamine
CID 130321334
(1Z)-1-N-[5-(1,1-difluoroethyl)-4-fluorocyclohexa-1,5-dien-1-yl]-5-[[(Z)-2-propan-2-ylbut-2-enylidene]amino]hexa-1,5-diene-1,2-diamine
CID 130321549
(4E,6E)-N-[(2E,3E)-2-ethylidene-4-[(2-methylprop-2-enylideneamino)methyl]hexa-3,5-dienyl]-7-fluoro-3,6-dimethylnona-1,4,6,8-tetraen-4-amine
CID 134187539
(2E)-N-ethenyl-2-[3-[(8Z)-8-ethylidene-2,7-dimethyl-2,3-dihydro-1H-1,4-diazocin-6-yl]-4-fluorocyclohexa-2,4-dien-1-ylidene]ethanimine
CID 173841405
(3E,4Z)-5-N-ethenyl-2-[2-(ethenyliminomethyl)hex-1-enyl]-3-ethylidene-1-N'-(2-fluoro-5,6-dimethylcyclohexa-1,5-dien-1-yl)-1-N-methylpenta-1,4-diene-1,1,5-triamine
CID 173887125
4-fluoro-3-methyl-2H-pyrrole;N-[(2E)-4-(2-methylcyclohexa-1,3-dien-1-yl)penta-2,4-dien-2-yl]-N'-(3-methylhex-1-en-2-yl)butane-1,4-diamine
CID 143441216
3-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]-N-ethylbuta-1,3-dien-2-amine;3-ethyl-5-(3-fluorobutyl)-2,3-dihydropyridine;molecular hydrogen;hydrofluoride
CID 144096700
(Z)-2-(2-methyl-1,2-dihydropyridin-3-yl)pent-2-en-1-imine
CID 145691680
(2S)-N-[3-[(1E,3E)-2,3-dimethylpenta-1,3-dienyl]iminoprop-1-en-2-yl]-3-methylidenepent-4-en-2-amine
CID 154979175
(1Z,3Z,6Z)-5-[(E)-1-[2-(butylamino)prop-2-enylideneamino]but-1-en-2-yl]-1-N,2-N,2-N-trimethylocta-1,3,6-triene-1,2-diamine
CID 173871046
5-(3,3-dimethylcyclobutyl)imino-N-[(3Z)-hexa-1,3-dien-2-yl]-4-methyl-2-(2-methylpropyl)penta-1,3-dien-1-amine
CID 174092895
(2E,4E)-N-methyl-5-[[(Z)-prop-1-enyl]iminomethyl]octa-2,4-dien-3-amine
CID 178138423

Frequently Asked Questions

What is the IUPAC name of 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
The IUPAC name of 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine (CID 137247884) is 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine.
What is the SMILES notation for 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
The canonical SMILES for 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine is CNC1C=CNC(C)=C1/C=N/C(C)/C(C)=C/C(C)=C/CCC(C)(C)F.
What is the InChIKey of 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
The InChIKey is WTFJJPZHYDGRRG-GIXUSPFSSA-N. The full InChI is InChI=1S/C21H34FN3/c1-15(9-8-11-21(5,6)22)13-16(2)17(3)25-14-19-18(4)24-12-10-20(19)23-7/h9-10,12-14,17,20,23-24H,8,11H2,1-7H3/b15-9+,16-13+,25-14+.
What are the key properties of 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine?
3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine has a molecular weight of 347.52 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3E,5E)-9-fluoro-3,5,9-trimethyldeca-3,5-dien-2-yl]iminomethyl]-N,2-dimethyl-1,4-dihydropyridin-4-amine is sourced from PubChem (CID 137247884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).