6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine

C12H23F3N2O — CID 116535108

IUPAC6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine
SMILESCC1CN(C(C)(CN)CCCC(F)(F)F)CCO1
InChIInChI=1S/C12H23F3N2O/c1-10-8-17(6-7-18-10)11(2,9-16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyOCKNKPMYNNOLRU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds5

About 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine

6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine (PubChem CID 116535108) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine
PubChem CID116535108
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine
SMILESCC1CN(C(C)(CN)CCCC(F)(F)F)CCO1
InChIInChI=1S/C12H23F3N2O/c1-10-8-17(6-7-18-10)11(2,9-16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3
InChIKeyOCKNKPMYNNOLRU-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-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 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine (CID 116535108) is 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine is CC1CN(C(C)(CN)CCCC(F)(F)F)CCO1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine?
The InChIKey is OCKNKPMYNNOLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10-8-17(6-7-18-10)11(2,9-16)4-3-5-12(13,14)15/h10H,3-9,16H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine?
6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-(2-methylmorpholin-4-yl)hexan-1-amine is sourced from PubChem (CID 116535108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).