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

C14H25F3N2O2 — CID 65052464

IUPAC2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCC1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O2/c1-2-3-11-4-6-13(9-18,7-5-11)21-8-12(20)19-10-14(15,16)17/h11H,2-10,18H2,1H3,(H,19,20)
InChIKeyFOCBWEUURQGQRY-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds7

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

2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65052464) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65052464
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCC1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O2/c1-2-3-11-4-6-13(9-18,7-5-11)21-8-12(20)19-10-14(15,16)17/h11H,2-10,18H2,1H3,(H,19,20)
InChIKeyFOCBWEUURQGQRY-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(aminomethyl)-4-propylcyclohexyl]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

Related Compounds

2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-pentan-3-ylacetamide
CID 65052321
[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N,N-diethylacetamide
CID 65052460
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-morpholin-4-ylethanone
CID 65052366
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
ethyl 2-[1-(aminomethyl)-4-propylcyclohexyl]oxypropanoate
CID 65052370
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-cyclopropylacetamide
CID 65050836
2-[2-(propylamino)ethoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 62337065

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 65052464) is 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is CCCC1CCC(CN)(OCC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FOCBWEUURQGQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-2-3-11-4-6-13(9-18,7-5-11)21-8-12(20)19-10-14(15,16)17/h11H,2-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).