4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile

C13H21F3N2 — CID 63091107

IUPAC4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N(C)CCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2/c1-3-10-4-5-11(9-17)12(8-10)18(2)7-6-13(14,15)16/h10-12H,3-8H2,1-2H3
InChIKeyZTMQLKSNYQUQEH-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.59
Rot. Bonds4

About 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile

4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile (PubChem CID 63091107) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile
PubChem CID63091107
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N(C)CCC(F)(F)F)C1
InChIInChI=1S/C13H21F3N2/c1-3-10-4-5-11(9-17)12(8-10)18(2)7-6-13(14,15)16/h10-12H,3-8H2,1-2H3
InChIKeyZTMQLKSNYQUQEH-UHFFFAOYSA-N
XLogP3.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile 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-[butyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 43291631
2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446
4-[(2-cyano-5-ethylcyclohexyl)-methylamino]benzonitrile
CID 62969646
4-ethyl-2-[methyl(pyridin-4-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 43564181
4-ethyl-2-[methyl(pentan-2-yl)amino]cyclohexane-1-carbonitrile
CID 43572083
2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide
CID 55002711
4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexane-1-carbonitrile
CID 62968579
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596
4-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carbonitrile
CID 63693484
2-[2-hydroxypropyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 55060731
2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 60892330

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile (CID 63091107) is 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N(C)CCC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is ZTMQLKSNYQUQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2/c1-3-10-4-5-11(9-17)12(8-10)18(2)7-6-13(14,15)16/h10-12H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile?
4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 262.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 63091107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).