N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine

C12H22F3N — CID 81314874

IUPACN-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(C(F)(F)F)CCC(C)(C)CC1C
InChIInChI=1S/C12H22F3N/c1-5-16-11(12(13,14)15)7-6-10(3,4)8-9(11)2/h9,16H,5-8H2,1-4H3
InChIKeyYPDRPDWJVMYFTH-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds2

About N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine

N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 81314874) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine
PubChem CID81314874
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC NameN-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine
SMILESCCNC1(C(F)(F)F)CCC(C)(C)CC1C
InChIInChI=1S/C12H22F3N/c1-5-16-11(12(13,14)15)7-6-10(3,4)8-9(11)2/h9,16H,5-8H2,1-4H3
InChIKeyYPDRPDWJVMYFTH-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine 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 N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine (CID 81314874) is N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine is CCNC1(C(F)(F)F)CCC(C)(C)CC1C.
What is the InChIKey of N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YPDRPDWJVMYFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-5-16-11(12(13,14)15)7-6-10(3,4)8-9(11)2/h9,16H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine?
N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,4-trimethyl-1-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 81314874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).