2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide

C13H23F3N2O2 — CID 65052679

IUPAC2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2)3-5-12(8-17,6-4-11)20-7-10(19)18-9-13(14,15)16/h3-9,17H2,1-2H3,(H,18,19)
InChIKeyMSRFGSYAJNGLQO-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.98
Rot. Bonds5

About 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65052679) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65052679
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(C)CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2)3-5-12(8-17,6-4-11)20-7-10(19)18-9-13(14,15)16/h3-9,17H2,1-2H3,(H,18,19)
InChIKeyMSRFGSYAJNGLQO-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 65052679) is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is CC1(C)CCC(CN)(OCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MSRFGSYAJNGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-11(2)3-5-12(8-17,6-4-11)20-7-10(19)18-9-13(14,15)16/h3-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65052679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).