N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine

C12H13F3N2 — CID 66331048

IUPACN-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CC=CCC2)c1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)9-6-7-16-11(8-9)17-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,16,17)
InChIKeyUKAXYVWLVXVFJQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.62
Rot. Bonds2

About N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine

N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66331048) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66331048
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC NameN-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CC=CCC2)c1
InChIInChI=1S/C12H13F3N2/c13-12(14,15)9-6-7-16-11(8-9)17-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,16,17)
InChIKeyUKAXYVWLVXVFJQ-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
N-[4-(trifluoromethyl)-2-pyridinyl]azepan-4-amine
CID 107173809
N-cyclohex-3-en-1-yl-2-fluoro-4-(trifluoromethyl)aniline
CID 113238887
methyl 2-(cyclohex-3-en-1-ylamino)pyridine-4-carboxylate
CID 114075047
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133377961
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 80602272
N-(2-ethylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 103736545
2-methyl-N-[[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59231622
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410
3-[[4-(trifluoromethyl)-2-pyridinyl]amino]piperidine-2,6-dione
CID 66328290

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine (CID 66331048) is N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NC2CC=CCC2)c1.
What is the InChIKey of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UKAXYVWLVXVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c13-12(14,15)9-6-7-16-11(8-9)17-10-4-2-1-3-5-10/h1-2,6-8,10H,3-5H2,(H,16,17).
What are the key properties of N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine?
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 242.24 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66331048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).