N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide

C19H36F3IN4 — CID 109453433

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H35F3N4.HI/c1-6-23-16(26-13-17(2,3)18(26,4)5)24-10-7-15-8-11-25(12-9-15)14-19(20,21)22;/h15H,6-14H2,1-5H3,(H,23,24);1H
InChIKeyFMVGORSGWVQHOD-UHFFFAOYSA-N
MW504.42 g/mol
LogP4.35
Rot. Bonds5

About N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453433) has the molecular formula C19H36F3IN4 and a molecular weight of 504.42 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109453433
Molecular FormulaC19H36F3IN4
Molecular Weight504.42 g/mol
Exact Mass504.19
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C19H35F3N4.HI/c1-6-23-16(26-13-17(2,3)18(26,4)5)24-10-7-15-8-11-25(12-9-15)14-19(20,21)22;/h15H,6-14H2,1-5H3,(H,23,24);1H
InChIKeyFMVGORSGWVQHOD-UHFFFAOYSA-N
XLogP4.35
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.42
LogP ≤ 54.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide;hydroiodide
CID 109452064
N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109452148
N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide
CID 109452149
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-ethyl-2,2,3,3-tetramethyl-N'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452384
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide
CID 109453434
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109453551
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109453552
N',2,2,3,3-pentamethyl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453575
N-ethyl-2,2,3,3-tetramethyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]azetidine-1-carboximidamide;hydroiodide
CID 109454341
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109469256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide (CID 109453433) is N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCC1CCN(CC(F)(F)F)CC1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is FMVGORSGWVQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35F3N4.HI/c1-6-23-16(26-13-17(2,3)18(26,4)5)24-10-7-15-8-11-25(12-9-15)14-19(20,21)22;/h15H,6-14H2,1-5H3,(H,23,24);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 504.42 g/mol, XLogP of 4.35, 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-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).