2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine

C12H16F3N3 — CID 145440975

IUPAC2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine
SMILES[H]/N=C(/C=C/CC1C(C)=CC(N)=NC1C)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c1-7-6-11(17)18-8(2)9(7)4-3-5-10(16)12(13,14)15/h3,5-6,8-9,16H,4H2,1-2H3,(H2,17,18)/b5-3+,16-10-
InChIKeyQHWDWWLKEFQCJD-PVHCHUPNSA-N
MW259.27 g/mol
LogP2.84
Rot. Bonds3

About 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine

2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine (PubChem CID 145440975) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine
PubChem CID145440975
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine
SMILES[H]/N=C(/C=C/CC1C(C)=CC(N)=NC1C)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c1-7-6-11(17)18-8(2)9(7)4-3-5-10(16)12(13,14)15/h3,5-6,8-9,16H,4H2,1-2H3,(H2,17,18)/b5-3+,16-10-
InChIKeyQHWDWWLKEFQCJD-PVHCHUPNSA-N
XLogP2.84
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-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 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine?
The IUPAC name of 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine (CID 145440975) is 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine?
The canonical SMILES for 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine is [H]/N=C(/C=C/CC1C(C)=CC(N)=NC1C)C(F)(F)F.
What is the InChIKey of 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine?
The InChIKey is QHWDWWLKEFQCJD-PVHCHUPNSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-7-6-11(17)18-8(2)9(7)4-3-5-10(16)12(13,14)15/h3,5-6,8-9,16H,4H2,1-2H3,(H2,17,18)/b5-3+,16-10-.
What are the key properties of 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine?
2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine has a molecular weight of 259.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-[(E)-5,5,5-trifluoro-4-iminopent-2-enyl]-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 145440975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).