N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H22F3N3O — CID 78924304

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(C)C1(CNC(=O)CNCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3N3O/c1-18(2)11(5-3-4-6-11)8-17-10(19)7-16-9-12(13,14)15/h16H,3-9H2,1-2H3,(H,17,19)
InChIKeyOIIRFIWHLSOPJM-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.13
Rot. Bonds6

About N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924304) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924304
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(C)C1(CNC(=O)CNCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3N3O/c1-18(2)11(5-3-4-6-11)8-17-10(19)7-16-9-12(13,14)15/h16H,3-9H2,1-2H3,(H,17,19)
InChIKeyOIIRFIWHLSOPJM-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924304) is N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CN(C)C1(CNC(=O)CNCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is OIIRFIWHLSOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-18(2)11(5-3-4-6-11)8-17-10(19)7-16-9-12(13,14)15/h16H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).