(2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine

C24H35F3N4 — CID 143343934

IUPAC(2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine
SMILESC=C(/C=C(\C=C/C)CNC(=C\CC)/C(=C\C)C(=C(C)\N=C\C)/N(C)/C=C/N)C(F)(F)F
InChIInChI=1S/C24H35F3N4/c1-8-12-20(16-18(5)24(25,26)27)17-30-22(13-9-2)21(10-3)23(19(6)29-11-4)31(7)15-14-28/h8,10-16,30H,5,9,17,28H2,1-4,6-7H3/b12-8-,15-14+,20-16+,21-10+,22-13-,23-19+,29-11+
InChIKeyPPXCFSNRFZRMGP-DEHVTHTPSA-N
MW436.57 g/mol
LogP6.12
Rot. Bonds11

About (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine

(2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine (PubChem CID 143343934) has the molecular formula C24H35F3N4 and a molecular weight of 436.57 g/mol. Its IUPAC name is (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine.

Molecular Properties

Compound Name(2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine
PubChem CID143343934
Molecular FormulaC24H35F3N4
Molecular Weight436.57 g/mol
Exact Mass436.28
IUPAC Name(2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine
SMILESC=C(/C=C(\C=C/C)CNC(=C\CC)/C(=C\C)C(=C(C)\N=C\C)/N(C)/C=C/N)C(F)(F)F
InChIInChI=1S/C24H35F3N4/c1-8-12-20(16-18(5)24(25,26)27)17-30-22(13-9-2)21(10-3)23(19(6)29-11-4)31(7)15-14-28/h8,10-16,30H,5,9,17,28H2,1-4,6-7H3/b12-8-,15-14+,20-16+,21-10+,22-13-,23-19+,29-11+
InChIKeyPPXCFSNRFZRMGP-DEHVTHTPSA-N
XLogP6.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.57
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine with MolForge

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Related Compounds

(2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine;N-[(Z)-but-1-enyl]ethanimine
CID 143343933
(1E)-1-(ethylideneamino)-N-[[1-[4-[(Z,2E)-2-ethylidenehex-3-enyl]piperazin-1-yl]cyclopropyl]methyl]-3-(trifluoromethyl)buta-1,3-dien-2-amine
CID 145237544
(2E)-2-ethylidene-1-N-methyl-3-N-[(Z)-3-[[(Z)-3-(3-methylcyclohexa-1,3-dien-1-yl)-3-(propylideneamino)prop-2-enyl]amino]prop-1-enyl]-3-(trifluoromethyl)pent-4-ene-1,3-diamine
CID 156578570
(2E,4Z,6Z,9Z)-3-(difluoromethyl)-N-[4-[dimethylamino(2-methylbut-3-enyl)amino]-3-methylidenepenta-1,4-dien-2-yl]-10-(ethylideneamino)-11,11,11-trifluoro-7-methylundeca-2,4,6,9-tetraen-6-amine
CID 166907303
(2E,4Z,6Z,8Z)-8-N-ethyl-9-(methylideneamino)-4-prop-2-enylidene-1-N-[(Z)-3,3,3-trifluoro-1-(methylideneamino)prop-1-en-2-yl]undeca-2,6,8,10-tetraene-1,8-diamine
CID 170073122
(1E,3E)-1-(ethylideneamino)-2-methyl-N-(2,2,2-trifluoroethyl)hexa-1,3-dien-3-amine
CID 173699246
(4Z)-5-N-butyl-3-N-[(1Z,3E)-2-[(3E)-4-(ethylideneamino)-4-fluorobuta-1,3-dien-2-yl]-4-(trifluoromethyl)hexa-1,3,5-trienyl]-5-N-methyl-4-[(3Z,5Z)-4-methylocta-3,5-dienyl]hepta-1,2,4,6-tetraene-3,5-diamine
CID 176539760
(E)-N'-[7-[1-[(4-fluoro-3-methylcyclohepta-1,3,6-trien-1-yl)methylamino]ethenyl]-5-methyl-2H-1,4-diazepin-6-yl]-N'-methylethene-1,2-diamine
CID 143343139
(1E,4Z)-4-N-[(E)-5,5-difluoro-4-methylidene-2-[(Z)-prop-1-enyl]hex-2-enyl]-1-(ethylideneamino)-2-N,2-N-dimethyl-3-methylidenehepta-1,4-diene-2,4-diamine
CID 143346416
acetonitrile;but-1-ene;(E)-N'-[7-[1-[(4-fluoro-3-methylcyclohepta-1,3,6-trien-1-yl)methylamino]ethenyl]-5-methyl-2H-1,4-diazepin-6-yl]-N'-methylethene-1,2-diamine;2-methylprop-1-ene
CID 143343138
1-N-[(E)-2-aminobut-1-enyl]-3-N-[(2E,4E)-5-fluoro-4-methyl-2-propa-1,2-dienylhexa-2,4-dienyl]-2-methyliminobut-3-ene-1,3-diamine;ethane;propane
CID 143344550
(1Z)-2-N-[3-[[(2Z)-3-ethylpenta-2,4-dienylidene]amino]propyl]-3-methyl-2-N-propylbuta-1,3-diene-1,2-diamine
CID 166904451

Frequently Asked Questions

What is the IUPAC name of (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine?
The IUPAC name of (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine (CID 143343934) is (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine.
What is the SMILES notation for (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine?
The canonical SMILES for (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine is C=C(/C=C(\C=C/C)CNC(=C\CC)/C(=C\C)C(=C(C)\N=C\C)/N(C)/C=C/N)C(F)(F)F.
What is the InChIKey of (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine?
The InChIKey is PPXCFSNRFZRMGP-DEHVTHTPSA-N. The full InChI is InChI=1S/C24H35F3N4/c1-8-12-20(16-18(5)24(25,26)27)17-30-22(13-9-2)21(10-3)23(19(6)29-11-4)31(7)15-14-28/h8,10-16,30H,5,9,17,28H2,1-4,6-7H3/b12-8-,15-14+,20-16+,21-10+,22-13-,23-19+,29-11+.
What are the key properties of (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine?
(2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine has a molecular weight of 436.57 g/mol, XLogP of 6.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,5Z)-3-N-[(E)-2-aminoethenyl]-4-ethylidene-2-(ethylideneamino)-3-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]-4-(trifluoromethyl)penta-2,4-dienyl]octa-2,5-diene-3,5-diamine is sourced from PubChem (CID 143343934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).