2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine

C13H19F3N4 — CID 109473251

IUPAC2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(/NCCc1ccc(C)nc1)NCCC(F)(F)F
InChIInChI=1S/C13H19F3N4/c1-10-3-4-11(9-20-10)5-7-18-12(17-2)19-8-6-13(14,15)16/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19)
InChIKeyAESYYZQPIHRUSG-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.05
Rot. Bonds5

About 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine

2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 109473251) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID109473251
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(/NCCc1ccc(C)nc1)NCCC(F)(F)F
InChIInChI=1S/C13H19F3N4/c1-10-3-4-11(9-20-10)5-7-18-12(17-2)19-8-6-13(14,15)16/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19)
InChIKeyAESYYZQPIHRUSG-UHFFFAOYSA-N
XLogP2.05
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine 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

2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111837708
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111839899
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine;hydroiodide
CID 111836978
1-[3-(4-fluorophenyl)sulfanylpropyl]-2-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111837838
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111840085
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778760
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111840125
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 111839225
2-methyl-1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471963
2-methyl-1-(2-pyridin-3-ylethyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295732
1-[2-(3-fluorophenoxy)butyl]-2-methyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
CID 109475803

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine (CID 109473251) is 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(/NCCc1ccc(C)nc1)NCCC(F)(F)F.
What is the InChIKey of 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is AESYYZQPIHRUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-10-3-4-11(9-20-10)5-7-18-12(17-2)19-8-6-13(14,15)16/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine?
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 288.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 109473251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).