N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide

C15H29F3IN3 — CID 109452354

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H28F3N3.HI/c1-6-19-12(20-10-8-7-9-15(16,17)18)21-11-13(2,3)14(21,4)5;/h6-11H2,1-5H3,(H,19,20);1H
InChIKeyZFXXQOVLOCKJFO-UHFFFAOYSA-N
MW435.32 g/mol
LogP4.42
Rot. Bonds5

About N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109452354) has the molecular formula C15H29F3IN3 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109452354
Molecular FormulaC15H29F3IN3
Molecular Weight435.32 g/mol
Exact Mass435.14
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H28F3N3.HI/c1-6-19-12(20-10-8-7-9-15(16,17)18)21-11-13(2,3)14(21,4)5;/h6-11H2,1-5H3,(H,19,20);1H
InChIKeyZFXXQOVLOCKJFO-UHFFFAOYSA-N
XLogP4.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.42
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide (CID 109452354) is N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCCC(F)(F)F)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is ZFXXQOVLOCKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3.HI/c1-6-19-12(20-10-8-7-9-15(16,17)18)21-11-13(2,3)14(21,4)5;/h6-11H2,1-5H3,(H,19,20);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 435.32 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).