N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H26F3NO — CID 43748962

IUPACN-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(OCC(F)(F)F)C2)CC1
InChIInChI=1S/C15H26F3NO/c1-11-5-7-12(8-6-11)19-13-3-2-4-14(9-13)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyKZFJWTAMDSRNKB-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748962) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748962
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CCC(NC2CCCC(OCC(F)(F)F)C2)CC1
InChIInChI=1S/C15H26F3NO/c1-11-5-7-12(8-6-11)19-13-3-2-4-14(9-13)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyKZFJWTAMDSRNKB-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)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-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748962) is N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CCC(NC2CCCC(OCC(F)(F)F)C2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is KZFJWTAMDSRNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11-5-7-12(8-6-11)19-13-3-2-4-14(9-13)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).