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

C12H22F3N3O — CID 79564144

IUPAC1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-17-11(10(16)19)6-3-4-9(11)5-7-18(2)8-12(13,14)15/h9,17H,3-8H2,1-2H3,(H2,16,19)
InChIKeySBORGJIDXVKCBO-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.11
Rot. Bonds6

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

1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide (PubChem CID 79564144) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
PubChem CID79564144
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN(C)CC(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-17-11(10(16)19)6-3-4-9(11)5-7-18(2)8-12(13,14)15/h9,17H,3-8H2,1-2H3,(H2,16,19)
InChIKeySBORGJIDXVKCBO-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide (CID 79564144) is 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN(C)CC(F)(F)F.
What is the InChIKey of 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
The InChIKey is SBORGJIDXVKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-17-11(10(16)19)6-3-4-9(11)5-7-18(2)8-12(13,14)15/h9,17H,3-8H2,1-2H3,(H2,16,19).
What are the key properties of 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide?
1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79564144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).