N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide

C15H29F3N4 — CID 109452761

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)CC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H29F3N4/c1-7-19-12(22-10-13(2,3)14(22,4)5)20-8-9-21(6)11-15(16,17)18/h7-11H2,1-6H3,(H,19,20)
InChIKeyYOTNFCGNPRMSJS-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide

N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide (PubChem CID 109452761) has the molecular formula C15H29F3N4 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide
PubChem CID109452761
Molecular FormulaC15H29F3N4
Molecular Weight322.42 g/mol
Exact Mass322.23
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide
SMILESCCN/C(=N\CCN(C)CC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H29F3N4/c1-7-19-12(22-10-13(2,3)14(22,4)5)20-8-9-21(6)11-15(16,17)18/h7-11H2,1-6H3,(H,19,20)
InChIKeyYOTNFCGNPRMSJS-UHFFFAOYSA-N
XLogP2.57
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.57
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-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451729
N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide;hydroiodide
CID 109452064
N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide
CID 109452065
N'-ethyl-2,2,3,3-tetramethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide;hydroiodide
CID 109452102
N'-ethyl-2,2,3,3-tetramethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide
CID 109452103
N',2,2,3,3-pentamethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452264
N',2,2,3,3-pentamethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide
CID 109452265
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109452354
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109452355
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452578
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
CID 109452579
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide (CID 109452761) is N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide is CCN/C(=N\CCN(C)CC(F)(F)F)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide?
The InChIKey is YOTNFCGNPRMSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N4/c1-7-19-12(22-10-13(2,3)14(22,4)5)20-8-9-21(6)11-15(16,17)18/h7-11H2,1-6H3,(H,19,20).
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide?
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide has a molecular weight of 322.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide is sourced from PubChem (CID 109452761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).