2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide

C13H24F3N3O — CID 62009544

IUPAC2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(=O)NCC(F)(F)F)C1(CN)CCCC1
InChIInChI=1S/C13H24F3N3O/c1-2-7-19(12(9-17)5-3-4-6-12)8-11(20)18-10-13(14,15)16/h2-10,17H2,1H3,(H,18,20)
InChIKeyGEJLWPKLOHDEJR-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.65
Rot. Bonds7

About 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62009544) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62009544
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(=O)NCC(F)(F)F)C1(CN)CCCC1
InChIInChI=1S/C13H24F3N3O/c1-2-7-19(12(9-17)5-3-4-6-12)8-11(20)18-10-13(14,15)16/h2-10,17H2,1H3,(H,18,20)
InChIKeyGEJLWPKLOHDEJR-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-1-piperidin-1-ylethanone
CID 62010554
1-(aminomethyl)-N-propyl-N-(3,3,3-trifluoropropyl)cycloheptan-1-amine
CID 64553128
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
CID 63097786
2-[2-aminoethyl(propyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492715
4-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-methylbutanamide
CID 63890957
1-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxamide
CID 60946592
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62008996
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 62009544) is 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(=O)NCC(F)(F)F)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GEJLWPKLOHDEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-2-7-19(12(9-17)5-3-4-6-12)8-11(20)18-10-13(14,15)16/h2-10,17H2,1H3,(H,18,20).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62009544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).