1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

C13H25F3N4 — CID 111546659

IUPAC1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESC/N=C(\NCCN(C)CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C13H25F3N4/c1-17-12(19-11-6-4-3-5-7-11)18-8-9-20(2)10-13(14,15)16/h11H,3-10H2,1-2H3,(H2,17,18,19)
InChIKeySSKARIQWKQXJGP-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.98
Rot. Bonds5

About 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (PubChem CID 111546659) has the molecular formula C13H25F3N4 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
PubChem CID111546659
Molecular FormulaC13H25F3N4
Molecular Weight294.36 g/mol
Exact Mass294.20
IUPAC Name1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESC/N=C(\NCCN(C)CC(F)(F)F)NC1CCCCC1
InChIInChI=1S/C13H25F3N4/c1-17-12(19-11-6-4-3-5-7-11)18-8-9-20(2)10-13(14,15)16/h11H,3-10H2,1-2H3,(H2,17,18,19)
InChIKeySSKARIQWKQXJGP-UHFFFAOYSA-N
XLogP1.98
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.98
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 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine 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 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (CID 111546659) is 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is C/N=C(\NCCN(C)CC(F)(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The InChIKey is SSKARIQWKQXJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N4/c1-17-12(19-11-6-4-3-5-7-11)18-8-9-20(2)10-13(14,15)16/h11H,3-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine has a molecular weight of 294.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is sourced from PubChem (CID 111546659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).