[3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine

C15H27F3N2O — CID 64757609

IUPAC[3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C(F)(F)F)C2)CC(C)(C)O1
InChIInChI=1S/C15H27F3N2O/c1-11-8-20(10-13(2,3)21-11)14(9-19)6-4-5-12(7-14)15(16,17)18/h11-12H,4-10,19H2,1-3H3
InChIKeyGNBSAVKDVLVJAJ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.94
Rot. Bonds2

About [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine

[3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine (PubChem CID 64757609) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
PubChem CID64757609
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name[3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine
SMILESCC1CN(C2(CN)CCCC(C(F)(F)F)C2)CC(C)(C)O1
InChIInChI=1S/C15H27F3N2O/c1-11-8-20(10-13(2,3)21-11)14(9-19)6-4-5-12(7-14)15(16,17)18/h11-12H,4-10,19H2,1-3H3
InChIKeyGNBSAVKDVLVJAJ-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine (CID 64757609) is [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine is CC1CN(C2(CN)CCCC(C(F)(F)F)C2)CC(C)(C)O1.
What is the InChIKey of [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine?
The InChIKey is GNBSAVKDVLVJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-11-8-20(10-13(2,3)21-11)14(9-19)6-4-5-12(7-14)15(16,17)18/h11-12H,4-10,19H2,1-3H3.
What are the key properties of [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine?
[3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine has a molecular weight of 308.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-1-(2,2,6-trimethylmorpholin-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 64757609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).