N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide

C14H27F3IN3O — CID 109451942

IUPACN',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H26F3N3O.HI/c1-12(2)9-20(13(12,3)4)11(18-5)19-7-6-8-21-10-14(15,16)17;/h6-10H2,1-5H3,(H,18,19);1H
InChIKeyWRDDBDKKRAPGMS-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.27
Rot. Bonds5

About N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide (PubChem CID 109451942) has the molecular formula C14H27F3IN3O and a molecular weight of 437.29 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide
PubChem CID109451942
Molecular FormulaC14H27F3IN3O
Molecular Weight437.29 g/mol
Exact Mass437.12
IUPAC NameN',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C14H26F3N3O.HI/c1-12(2)9-20(13(12,3)4)11(18-5)19-7-6-8-21-10-14(15,16)17;/h6-10H2,1-5H3,(H,18,19);1H
InChIKeyWRDDBDKKRAPGMS-UHFFFAOYSA-N
XLogP3.27
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide (CID 109451942) is N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCOCC(F)(F)F)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide?
The InChIKey is WRDDBDKKRAPGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O.HI/c1-12(2)9-20(13(12,3)4)11(18-5)19-7-6-8-21-10-14(15,16)17;/h6-10H2,1-5H3,(H,18,19);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide has a molecular weight of 437.29 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109451942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).