2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C13H24F3N3O — CID 79564074

IUPAC2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCN(CCC1CCCC1(NC)C(N)=O)CC(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-3-19(9-13(14,15)16)8-6-10-5-4-7-12(10,18-2)11(17)20/h10,18H,3-9H2,1-2H3,(H2,17,20)
InChIKeyPLVAWGUAWLPVLI-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.50
Rot. Bonds7

About 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79564074) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79564074
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCCN(CCC1CCCC1(NC)C(N)=O)CC(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-3-19(9-13(14,15)16)8-6-10-5-4-7-12(10,18-2)11(17)20/h10,18H,3-9H2,1-2H3,(H2,17,20)
InChIKeyPLVAWGUAWLPVLI-UHFFFAOYSA-N
XLogP1.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79564074) is 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CCN(CCC1CCCC1(NC)C(N)=O)CC(F)(F)F.
What is the InChIKey of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is PLVAWGUAWLPVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-3-19(9-13(14,15)16)8-6-10-5-4-7-12(10,18-2)11(17)20/h10,18H,3-9H2,1-2H3,(H2,17,20).
What are the key properties of 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79564074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).