4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide

C11H20F3N3O2 — CID 130179892

IUPAC4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide
SMILESCNC(NC(O)C(F)(F)F)C1CCC(C(N)=O)CC1
InChIInChI=1S/C11H20F3N3O2/c1-16-9(17-10(19)11(12,13)14)7-4-2-6(3-5-7)8(15)18/h6-7,9-10,16-17,19H,2-5H2,1H3,(H2,15,18)
InChIKeyOMTSIQUCKWLBHC-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.29
Rot. Bonds5

About 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide

4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide (PubChem CID 130179892) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide
PubChem CID130179892
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide
SMILESCNC(NC(O)C(F)(F)F)C1CCC(C(N)=O)CC1
InChIInChI=1S/C11H20F3N3O2/c1-16-9(17-10(19)11(12,13)14)7-4-2-6(3-5-7)8(15)18/h6-7,9-10,16-17,19H,2-5H2,1H3,(H2,15,18)
InChIKeyOMTSIQUCKWLBHC-UHFFFAOYSA-N
XLogP0.29
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide 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 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide (CID 130179892) is 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide is CNC(NC(O)C(F)(F)F)C1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide?
The InChIKey is OMTSIQUCKWLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-16-9(17-10(19)11(12,13)14)7-4-2-6(3-5-7)8(15)18/h6-7,9-10,16-17,19H,2-5H2,1H3,(H2,15,18).
What are the key properties of 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide?
4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methylamino-[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 130179892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).