(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine

C11H16F3N — CID 89228068

IUPAC(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C(CNC)\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(2)10(7-15-4)6-9(3)11(12,13)14/h5-6,15H,3,7H2,1-2,4H3/b8-5-,10-6-
InChIKeyNLZVQQISFKJRGN-UQZKWGPRSA-N
MW219.25 g/mol
LogP3.22
Rot. Bonds4

About (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine

(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine (PubChem CID 89228068) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
PubChem CID89228068
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=C(/C=C(CNC)\C(C)=C/C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(2)10(7-15-4)6-9(3)11(12,13)14/h5-6,15H,3,7H2,1-2,4H3/b8-5-,10-6-
InChIKeyNLZVQQISFKJRGN-UQZKWGPRSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-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 (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine (CID 89228068) is (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine is C=C(/C=C(CNC)\C(C)=C/C)C(F)(F)F.
What is the InChIKey of (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The InChIKey is NLZVQQISFKJRGN-UQZKWGPRSA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-8(2)10(7-15-4)6-9(3)11(12,13)14/h5-6,15H,3,7H2,1-2,4H3/b8-5-,10-6-.
What are the key properties of (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine?
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine has a molecular weight of 219.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 89228068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).