(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine

C19H20F9N3 — CID 138626042

IUPAC(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C(/N)C1C=C(C(F)(F)F)C=C(C2CC(C(F)(F)F)=CCN2)N1C)C(F)(F)F
InChIInChI=1S/C19H20F9N3/c1-3-10(17(20,21)22)6-13(29)15-8-12(19(26,27)28)9-16(31(15)2)14-7-11(4-5-30-14)18(23,24)25/h3-4,6,8-9,14-15,30H,5,7,29H2,1-2H3/b10-3+,13-6-
InChIKeyCXIRNCQVKBBKRT-CAVFMPQDSA-N
MW461.37 g/mol
LogP4.87
Rot. Bonds3

About (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine

(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine (PubChem CID 138626042) has the molecular formula C19H20F9N3 and a molecular weight of 461.37 g/mol. Its IUPAC name is (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine
PubChem CID138626042
Molecular FormulaC19H20F9N3
Molecular Weight461.37 g/mol
Exact Mass461.15
IUPAC Name(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C(/N)C1C=C(C(F)(F)F)C=C(C2CC(C(F)(F)F)=CCN2)N1C)C(F)(F)F
InChIInChI=1S/C19H20F9N3/c1-3-10(17(20,21)22)6-13(29)15-8-12(19(26,27)28)9-16(31(15)2)14-7-11(4-5-30-14)18(23,24)25/h3-4,6,8-9,14-15,30H,5,7,29H2,1-2H3/b10-3+,13-6-
InChIKeyCXIRNCQVKBBKRT-CAVFMPQDSA-N
XLogP4.87
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine (CID 138626042) is (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine is C/C=C(\C=C(/N)C1C=C(C(F)(F)F)C=C(C2CC(C(F)(F)F)=CCN2)N1C)C(F)(F)F.
What is the InChIKey of (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine?
The InChIKey is CXIRNCQVKBBKRT-CAVFMPQDSA-N. The full InChI is InChI=1S/C19H20F9N3/c1-3-10(17(20,21)22)6-13(29)15-8-12(19(26,27)28)9-16(31(15)2)14-7-11(4-5-30-14)18(23,24)25/h3-4,6,8-9,14-15,30H,5,7,29H2,1-2H3/b10-3+,13-6-.
What are the key properties of (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine?
(1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine has a molecular weight of 461.37 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-[1-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-2-yl]-2H-pyridin-2-yl]-3-(trifluoromethyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 138626042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).