4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile

C15H25F3N2 — CID 60890422

IUPAC4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N(C)CC(F)(F)F)C1
InChIInChI=1S/C15H25F3N2/c1-5-14(2,3)12-7-6-11(9-19)13(8-12)20(4)10-15(16,17)18/h11-13H,5-8,10H2,1-4H3
InChIKeyXEJTUTYUHJCXEW-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.23
Rot. Bonds4

About 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile

4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 60890422) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
PubChem CID60890422
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
SMILESCCC(C)(C)C1CCC(C#N)C(N(C)CC(F)(F)F)C1
InChIInChI=1S/C15H25F3N2/c1-5-14(2,3)12-7-6-11(9-19)13(8-12)20(4)10-15(16,17)18/h11-13H,5-8,10H2,1-4H3
InChIKeyXEJTUTYUHJCXEW-UHFFFAOYSA-N
XLogP4.23
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile (CID 60890422) is 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile is CCC(C)(C)C1CCC(C#N)C(N(C)CC(F)(F)F)C1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is XEJTUTYUHJCXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-5-14(2,3)12-7-6-11(9-19)13(8-12)20(4)10-15(16,17)18/h11-13H,5-8,10H2,1-4H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile?
4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 60890422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).