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

C12H21F3N2O2 — CID 65051054

IUPAC2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9-2-4-11(7-16,5-3-9)19-6-10(18)17-8-12(13,14)15/h9H,2-8,16H2,1H3,(H,17,18)
InChIKeyRRBGOGDHODPDEE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.59
Rot. Bonds5

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

2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65051054) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65051054
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O2/c1-9-2-4-11(7-16,5-3-9)19-6-10(18)17-8-12(13,14)15/h9H,2-8,16H2,1H3,(H,17,18)
InChIKeyRRBGOGDHODPDEE-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide 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 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 65051054) is 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is CC1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RRBGOGDHODPDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9-2-4-11(7-16,5-3-9)19-6-10(18)17-8-12(13,14)15/h9H,2-8,16H2,1H3,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.59, 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-methylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65051054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).