(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

C30H46F3N5 — CID 143343933

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;N-[(Z)-but-1-enyl]ethanimine
SMILESC/C=N/C=C\CC.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
InChIInChI=1S/C24H35F3N4.C6H11N/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;1-3-5-6-7-4-2/h8,10-16,30H,5,9,17,28H2,1-4,6-7H3;4-6H,3H2,1-2H3/b12-8-,15-14+,20-16+,21-10+,22-13-,23-19+,29-11+;6-5-,7-4+
InChIKeyQWUNFTGDPZYTPZ-FDWHQEQBSA-N
MW533.73 g/mol
LogP8.12
Rot. Bonds13

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;N-[(Z)-but-1-enyl]ethanimine

(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 (PubChem CID 143343933) has the molecular formula C30H46F3N5 and a molecular weight of 533.73 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;N-[(Z)-but-1-enyl]ethanimine.

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;N-[(Z)-but-1-enyl]ethanimine
PubChem CID143343933
Molecular FormulaC30H46F3N5
Molecular Weight533.73 g/mol
Exact Mass533.37
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;N-[(Z)-but-1-enyl]ethanimine
SMILESC/C=N/C=C\CC.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
InChIInChI=1S/C24H35F3N4.C6H11N/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;1-3-5-6-7-4-2/h8,10-16,30H,5,9,17,28H2,1-4,6-7H3;4-6H,3H2,1-2H3/b12-8-,15-14+,20-16+,21-10+,22-13-,23-19+,29-11+;6-5-,7-4+
InChIKeyQWUNFTGDPZYTPZ-FDWHQEQBSA-N
XLogP8.12
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.73
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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;N-[(Z)-but-1-enyl]ethanimine with MolForge

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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;N-[(Z)-but-1-enyl]ethanimine?
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;N-[(Z)-but-1-enyl]ethanimine (CID 143343933) 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;N-[(Z)-but-1-enyl]ethanimine.
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;N-[(Z)-but-1-enyl]ethanimine?
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;N-[(Z)-but-1-enyl]ethanimine is C/C=N/C=C\CC.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;N-[(Z)-but-1-enyl]ethanimine?
The InChIKey is QWUNFTGDPZYTPZ-FDWHQEQBSA-N. The full InChI is InChI=1S/C24H35F3N4.C6H11N/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;1-3-5-6-7-4-2/h8,10-16,30H,5,9,17,28H2,1-4,6-7H3;4-6H,3H2,1-2H3/b12-8-,15-14+,20-16+,21-10+,22-13-,23-19+,29-11+;6-5-,7-4+.
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;N-[(Z)-but-1-enyl]ethanimine?
(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 has a molecular weight of 533.73 g/mol, XLogP of 8.12, 13 rotatable bonds, 2 hydrogen bond donors, and 5 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;N-[(Z)-but-1-enyl]ethanimine is sourced from PubChem (CID 143343933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).