(2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine

C22H34F3N3 — CID 166907497

IUPAC(2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine
SMILESC=C(N/C(C)=C(C)/C=C(\C)C(F)(F)F)C1=C(C)C(C)(C)N(CCC)N(C)C1=C
InChIInChI=1S/C22H34F3N3/c1-11-12-28-21(8,9)16(4)20(19(7)27(28)10)18(6)26-17(5)14(2)13-15(3)22(23,24)25/h13,26H,6-7,11-12H2,1-5,8-10H3/b15-13+,17-14+
InChIKeyCJSNWMOZBRFDEB-MIBLWBGCSA-N
MW397.53 g/mol
LogP6.07
Rot. Bonds6

About (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine

(2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine (PubChem CID 166907497) has the molecular formula C22H34F3N3 and a molecular weight of 397.53 g/mol. Its IUPAC name is (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine
PubChem CID166907497
Molecular FormulaC22H34F3N3
Molecular Weight397.53 g/mol
Exact Mass397.27
IUPAC Name(2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine
SMILESC=C(N/C(C)=C(C)/C=C(\C)C(F)(F)F)C1=C(C)C(C)(C)N(CCC)N(C)C1=C
InChIInChI=1S/C22H34F3N3/c1-11-12-28-21(8,9)16(4)20(19(7)27(28)10)18(6)26-17(5)14(2)13-15(3)22(23,24)25/h13,26H,6-7,11-12H2,1-5,8-10H3/b15-13+,17-14+
InChIKeyCJSNWMOZBRFDEB-MIBLWBGCSA-N
XLogP6.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.53
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine (CID 166907497) is (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine is C=C(N/C(C)=C(C)/C=C(\C)C(F)(F)F)C1=C(C)C(C)(C)N(CCC)N(C)C1=C.
What is the InChIKey of (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine?
The InChIKey is CJSNWMOZBRFDEB-MIBLWBGCSA-N. The full InChI is InChI=1S/C22H34F3N3/c1-11-12-28-21(8,9)16(4)20(19(7)27(28)10)18(6)26-17(5)14(2)13-15(3)22(23,24)25/h13,26H,6-7,11-12H2,1-5,8-10H3/b15-13+,17-14+.
What are the key properties of (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine?
(2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine has a molecular weight of 397.53 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6,6,6-trifluoro-3,5-dimethyl-N-[1-(2,5,6,6-tetramethyl-3-methylidene-1-propylpyridazin-4-yl)ethenyl]hexa-2,4-dien-2-amine is sourced from PubChem (CID 166907497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).