(E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine

C16H19F3N2 — CID 88986873

IUPAC(E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine
SMILESC=CC/C(=N\C=C(/C)CNC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2/c1-4-6-15(21-11-12(2)10-20-3)13-7-5-8-14(9-13)16(17,18)19/h4-5,7-9,11,20H,1,6,10H2,2-3H3/b12-11+,21-15+
InChIKeyAQWULZJWJPEDIF-ZIKJKZHMSA-N
MW296.34 g/mol
LogP4.19
Rot. Bonds6

About (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine

(E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine (PubChem CID 88986873) has the molecular formula C16H19F3N2 and a molecular weight of 296.34 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine
PubChem CID88986873
Molecular FormulaC16H19F3N2
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name(E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine
SMILESC=CC/C(=N\C=C(/C)CNC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3N2/c1-4-6-15(21-11-12(2)10-20-3)13-7-5-8-14(9-13)16(17,18)19/h4-5,7-9,11,20H,1,6,10H2,2-3H3/b12-11+,21-15+
InChIKeyAQWULZJWJPEDIF-ZIKJKZHMSA-N
XLogP4.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-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 (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine (CID 88986873) is (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine is C=CC/C(=N\C=C(/C)CNC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine?
The InChIKey is AQWULZJWJPEDIF-ZIKJKZHMSA-N. The full InChI is InChI=1S/C16H19F3N2/c1-4-6-15(21-11-12(2)10-20-3)13-7-5-8-14(9-13)16(17,18)19/h4-5,7-9,11,20H,1,6,10H2,2-3H3/b12-11+,21-15+.
What are the key properties of (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine?
(E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine has a molecular weight of 296.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]but-3-enylideneamino]prop-2-en-1-amine is sourced from PubChem (CID 88986873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).