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

C14H26F3N3O — CID 79565719

IUPAC2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H26F3N3O/c1-3-8-19-13(12(18)21)7-4-5-11(13)6-9-20(2)10-14(15,16)17/h11,19H,3-10H2,1-2H3,(H2,18,21)
InChIKeyZWMALUTXHPCYLR-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.89
Rot. Bonds8

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

2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide (PubChem CID 79565719) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
PubChem CID79565719
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C14H26F3N3O/c1-3-8-19-13(12(18)21)7-4-5-11(13)6-9-20(2)10-14(15,16)17/h11,19H,3-10H2,1-2H3,(H2,18,21)
InChIKeyZWMALUTXHPCYLR-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide (CID 79565719) is 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide is CCCNC1(C(N)=O)CCCC1CCN(C)CC(F)(F)F.
What is the InChIKey of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The InChIKey is ZWMALUTXHPCYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-3-8-19-13(12(18)21)7-4-5-11(13)6-9-20(2)10-14(15,16)17/h11,19H,3-10H2,1-2H3,(H2,18,21).
What are the key properties of 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide?
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79565719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).