N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide

C17H25F2N3 — CID 111740428

IUPACN'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(F)cccc1F)N1CCC(C)(C)C1
InChIInChI=1S/C17H25F2N3/c1-4-20-16(22-11-9-17(2,3)12-22)21-10-8-13-14(18)6-5-7-15(13)19/h5-7H,4,8-12H2,1-3H3,(H,20,21)
InChIKeyFEUKWADFCCSYQT-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.20
Rot. Bonds4

About N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide

N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide (PubChem CID 111740428) has the molecular formula C17H25F2N3 and a molecular weight of 309.40 g/mol. Its IUPAC name is N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
PubChem CID111740428
Molecular FormulaC17H25F2N3
Molecular Weight309.40 g/mol
Exact Mass309.20
IUPAC NameN'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1c(F)cccc1F)N1CCC(C)(C)C1
InChIInChI=1S/C17H25F2N3/c1-4-20-16(22-11-9-17(2,3)12-22)21-10-8-13-14(18)6-5-7-15(13)19/h5-7H,4,8-12H2,1-3H3,(H,20,21)
InChIKeyFEUKWADFCCSYQT-UHFFFAOYSA-N
XLogP3.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-acetyl-N'-[2-(2,6-difluorophenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962698
ethyl 4-[N'-[2-(2,6-difluorophenyl)ethyl]-N-ethylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164474
N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145705
N-[4-[2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111740421
N-ethyl-3,3-dimethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]pyrrolidine-1-carboximidamide
CID 109405917
N-[2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide;hydroiodide
CID 111739519
N-ethyl-N'-[(3-hydroxyphenyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111996239
N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740404
N-ethyl-3,3-dimethyl-N'-[4-(2-phenylethoxy)butyl]pyrrolidine-1-carboximidamide
CID 111738133
N-ethyl-N'-(2-methoxyethyl)-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739561
N-ethyl-3,3-dimethyl-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739927
2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 111738976

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide (CID 111740428) is N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide is CCN/C(=N\CCc1c(F)cccc1F)N1CCC(C)(C)C1.
What is the InChIKey of N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
The InChIKey is FEUKWADFCCSYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3/c1-4-20-16(22-11-9-17(2,3)12-22)21-10-8-13-14(18)6-5-7-15(13)19/h5-7H,4,8-12H2,1-3H3,(H,20,21).
What are the key properties of N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide?
N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide has a molecular weight of 309.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-difluorophenyl)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111740428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).