4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one

C13H24F3N3O — CID 119896806

IUPAC4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCCN(CC1CCN(C(=O)CCCN)C1)CC(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-2-18(10-13(14,15)16)8-11-5-7-19(9-11)12(20)4-3-6-17/h11H,2-10,17H2,1H3
InChIKeyTVQNVFHOVYEQFC-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.46
Rot. Bonds7

About 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one

4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 119896806) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
PubChem CID119896806
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
SMILESCCN(CC1CCN(C(=O)CCCN)C1)CC(F)(F)F
InChIInChI=1S/C13H24F3N3O/c1-2-18(10-13(14,15)16)8-11-5-7-19(9-11)12(20)4-3-6-17/h11H,2-10,17H2,1H3
InChIKeyTVQNVFHOVYEQFC-UHFFFAOYSA-N
XLogP1.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-1-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 95787705
(2-aminophenyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119947396
2-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119896751
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119896789
5-[(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 96569057
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119896764
5-[4-(diethylaminomethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 60951540
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
CID 119894837
5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 119484079
(4-amino-5-chloro-2-methoxyphenyl)-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 119896799

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one (CID 119896806) is 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one is CCN(CC1CCN(C(=O)CCCN)C1)CC(F)(F)F.
What is the InChIKey of 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is TVQNVFHOVYEQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-2-18(10-13(14,15)16)8-11-5-7-19(9-11)12(20)4-3-6-17/h11H,2-10,17H2,1H3.
What are the key properties of 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one?
4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 295.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 119896806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).