N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine

C12H24F3N3 — CID 63167916

IUPACN,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNCC(F)(F)F)C1
InChIInChI=1S/C12H24F3N3/c1-3-18(4-2)11-5-7-17(9-11)8-6-16-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyUPVWNHRIQPLMSC-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.55
Rot. Bonds7

About N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine

N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine (PubChem CID 63167916) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
PubChem CID63167916
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC NameN,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(CCNCC(F)(F)F)C1
InChIInChI=1S/C12H24F3N3/c1-3-18(4-2)11-5-7-17(9-11)8-6-16-10-12(13,14)15/h11,16H,3-10H2,1-2H3
InChIKeyUPVWNHRIQPLMSC-UHFFFAOYSA-N
XLogP1.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 63167488
N-[2-(4-ethylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62557757
N,N-diethyl-1-[3-(methylamino)propyl]pyrrolidin-3-amine
CID 63164683
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,2,2-trifluoroethanamine
CID 62559376
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-2,2,2-trifluoroethanamine
CID 62554395
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167533
2,2,2-trifluoro-N-[2-(3-methoxypiperidin-1-yl)ethyl]ethanamine
CID 102963685
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 79361989
3-[3-(diethylamino)pyrrolidin-1-yl]propan-1-ol
CID 63164582
N,N-diethyl-1-[2-(2-fluoroanilino)ethyl]pyrrolidin-3-amine
CID 63167614
N,N-diethyl-1-[3-(propylamino)butyl]pyrrolidin-3-amine
CID 63169385
2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62966726

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine (CID 63167916) is N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine is CCN(CC)C1CCN(CCNCC(F)(F)F)C1.
What is the InChIKey of N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine?
The InChIKey is UPVWNHRIQPLMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-3-18(4-2)11-5-7-17(9-11)8-6-16-10-12(13,14)15/h11,16H,3-10H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine?
N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine has a molecular weight of 267.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63167916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).