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

C12H21F3N2O2 — CID 65051374

IUPAC2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1(OCC(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-17-10(18)7-19-11(8-16)5-3-1-2-4-6-11/h1-9,16H2,(H,17,18)
InChIKeyGZSHEFLDUZWTSV-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.73
Rot. Bonds5

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

2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 65051374) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID65051374
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1(OCC(=O)NCC(F)(F)F)CCCCCC1
InChIInChI=1S/C12H21F3N2O2/c13-12(14,15)9-17-10(18)7-19-11(8-16)5-3-1-2-4-6-11/h1-9,16H2,(H,17,18)
InChIKeyGZSHEFLDUZWTSV-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide (CID 65051374) is 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is NCC1(OCC(=O)NCC(F)(F)F)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GZSHEFLDUZWTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c13-12(14,15)9-17-10(18)7-19-11(8-16)5-3-1-2-4-6-11/h1-9,16H2,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]oxy-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 65051374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).