(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine

C24H31F3N4 — CID 167255954

IUPAC(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine
SMILESC=C/C(C)=c1/[nH]cc/c1=C(C)\C(C)=C(/CNC)C(=C)CC/N=C/C(=C\N=C)C(F)(F)F
InChIInChI=1S/C24H31F3N4/c1-8-16(2)23-21(10-12-31-23)18(4)19(5)22(15-29-7)17(3)9-11-30-14-20(13-28-6)24(25,26)27/h8,10,12-14,29,31H,1,3,6,9,11,15H2,2,4-5,7H3/b20-13+,21-18+,22-19+,23-16+,30-14+
InChIKeyVYRFKRMGEUAHNA-TUJCKYRPSA-N
MW432.53 g/mol
LogP4.24
Rot. Bonds10

About (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine

(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine (PubChem CID 167255954) has the molecular formula C24H31F3N4 and a molecular weight of 432.53 g/mol. Its IUPAC name is (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine.

Molecular Properties

Compound Name(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine
PubChem CID167255954
Molecular FormulaC24H31F3N4
Molecular Weight432.53 g/mol
Exact Mass432.25
IUPAC Name(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine
SMILESC=C/C(C)=c1/[nH]cc/c1=C(C)\C(C)=C(/CNC)C(=C)CC/N=C/C(=C\N=C)C(F)(F)F
InChIInChI=1S/C24H31F3N4/c1-8-16(2)23-21(10-12-31-23)18(4)19(5)22(15-29-7)17(3)9-11-30-14-20(13-28-6)24(25,26)27/h8,10,12-14,29,31H,1,3,6,9,11,15H2,2,4-5,7H3/b20-13+,21-18+,22-19+,23-16+,30-14+
InChIKeyVYRFKRMGEUAHNA-TUJCKYRPSA-N
XLogP4.24
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.24
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'}

Analyze (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine?
The IUPAC name of (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine (CID 167255954) is (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine.
What is the SMILES notation for (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine?
The canonical SMILES for (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine is C=C/C(C)=c1/[nH]cc/c1=C(C)\C(C)=C(/CNC)C(=C)CC/N=C/C(=C\N=C)C(F)(F)F.
What is the InChIKey of (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine?
The InChIKey is VYRFKRMGEUAHNA-TUJCKYRPSA-N. The full InChI is InChI=1S/C24H31F3N4/c1-8-16(2)23-21(10-12-31-23)18(4)19(5)22(15-29-7)17(3)9-11-30-14-20(13-28-6)24(25,26)27/h8,10,12-14,29,31H,1,3,6,9,11,15H2,2,4-5,7H3/b20-13+,21-18+,22-19+,23-16+,30-14+.
What are the key properties of (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine?
(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine has a molecular weight of 432.53 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine is sourced from PubChem (CID 167255954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).