2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile

C11H17F3N2 — CID 64755683

IUPAC2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile
SMILESCC(C#N)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2/c1-8(6-15)7-16-10-4-2-9(3-5-10)11(12,13)14/h8-10,16H,2-5,7H2,1H3
InChIKeyVFNXEBUFZJKQPC-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile

2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile (PubChem CID 64755683) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile
PubChem CID64755683
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile
SMILESCC(C#N)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2/c1-8(6-15)7-16-10-4-2-9(3-5-10)11(12,13)14/h8-10,16H,2-5,7H2,1H3
InChIKeyVFNXEBUFZJKQPC-UHFFFAOYSA-N
XLogP2.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile 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 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile (CID 64755683) is 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile is CC(C#N)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile?
The InChIKey is VFNXEBUFZJKQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-8(6-15)7-16-10-4-2-9(3-5-10)11(12,13)14/h8-10,16H,2-5,7H2,1H3.
What are the key properties of 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile?
2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile has a molecular weight of 234.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propanenitrile is sourced from PubChem (CID 64755683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).