N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide

C13H26FN3 — CID 109453092

IUPACN-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CCCF)N1CC(C)(C)C1(C)C
InChIInChI=1S/C13H26FN3/c1-6-15-11(16-9-7-8-14)17-10-12(2,3)13(17,4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyPAVWLCCUZRLLPY-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.43
Rot. Bonds4

About N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide

N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide (PubChem CID 109453092) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
PubChem CID109453092
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC NameN-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CCCF)N1CC(C)(C)C1(C)C
InChIInChI=1S/C13H26FN3/c1-6-15-11(16-9-7-8-14)17-10-12(2,3)13(17,4)5/h6-10H2,1-5H3,(H,15,16)
InChIKeyPAVWLCCUZRLLPY-UHFFFAOYSA-N
XLogP2.43
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(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
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide
CID 109452761
N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452779
N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109452943
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109453551

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide (CID 109453092) is N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide is CCN/C(=N\CCCF)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The InChIKey is PAVWLCCUZRLLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-6-15-11(16-9-7-8-14)17-10-12(2,3)13(17,4)5/h6-10H2,1-5H3,(H,15,16).
What are the key properties of N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide has a molecular weight of 243.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide is sourced from PubChem (CID 109453092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).