[2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C14H23F3N2O2 — CID 104622836

IUPAC[2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1COC(CN)CN1C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-9-8-21-10(6-18)7-19(9)13(20)11-4-2-3-5-12(11)14(15,16)17/h9-12H,2-8,18H2,1H3
InChIKeyVZTKBJWUSMOHMX-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.93
Rot. Bonds2

About [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 104622836) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID104622836
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1COC(CN)CN1C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-9-8-21-10(6-18)7-19(9)13(20)11-4-2-3-5-12(11)14(15,16)17/h9-12H,2-8,18H2,1H3
InChIKeyVZTKBJWUSMOHMX-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 104622836) is [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is CC1COC(CN)CN1C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is VZTKBJWUSMOHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-9-8-21-10(6-18)7-19(9)13(20)11-4-2-3-5-12(11)14(15,16)17/h9-12H,2-8,18H2,1H3.
What are the key properties of [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 308.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-5-methylmorpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 104622836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).