N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide

C17H23F3N4 — CID 110983800

IUPACN'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide
SMILESCC/N=C(/NC1CCN(CC(F)(F)F)C1)N1CCc2ccccc21
InChIInChI=1S/C17H23F3N4/c1-2-21-16(24-10-7-13-5-3-4-6-15(13)24)22-14-8-9-23(11-14)12-17(18,19)20/h3-6,14H,2,7-12H2,1H3,(H,21,22)
InChIKeyFKPJENUKTGMOEK-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.65
Rot. Bonds3

About N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide

N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983800) has the molecular formula C17H23F3N4 and a molecular weight of 340.39 g/mol. Its IUPAC name is N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983800
Molecular FormulaC17H23F3N4
Molecular Weight340.39 g/mol
Exact Mass340.19
IUPAC NameN'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide
SMILESCC/N=C(/NC1CCN(CC(F)(F)F)C1)N1CCc2ccccc21
InChIInChI=1S/C17H23F3N4/c1-2-21-16(24-10-7-13-5-3-4-6-15(13)24)22-14-8-9-23(11-14)12-17(18,19)20/h3-6,14H,2,7-12H2,1H3,(H,21,22)
InChIKeyFKPJENUKTGMOEK-UHFFFAOYSA-N
XLogP2.65
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946682
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111915489
1-[2-(2,3-dihydroindol-1-yl)propyl]-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914603
2-[[(cyclopropylamino)-(2,3-dihydroindol-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 119116488
4-(2-chlorophenyl)-N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine-1-carboximidamide
CID 111177406
N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376420
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111994216
1-butyl-2-ethyl-1-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111158545
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983624
4-benzyl-N'-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperazine-1-carboximidamide;hydroiodide
CID 110959714
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111174273

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide (CID 110983800) is N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide is CC/N=C(/NC1CCN(CC(F)(F)F)C1)N1CCc2ccccc21.
What is the InChIKey of N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is FKPJENUKTGMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4/c1-2-21-16(24-10-7-13-5-3-4-6-15(13)24)22-14-8-9-23(11-14)12-17(18,19)20/h3-6,14H,2,7-12H2,1H3,(H,21,22).
What are the key properties of N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide?
N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 340.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).