N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide

C14H26F3N3 — CID 109453552

IUPACN',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H26F3N3/c1-12(2)10-20(13(12,3)4)11(18-5)19-9-7-6-8-14(15,16)17/h6-10H2,1-5H3,(H,18,19)
InChIKeyBLICFJFLTICQME-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.41
Rot. Bonds4

About N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide (PubChem CID 109453552) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
PubChem CID109453552
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC NameN',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
SMILESC/N=C(\NCCCCC(F)(F)F)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H26F3N3/c1-12(2)10-20(13(12,3)4)11(18-5)19-9-7-6-8-14(15,16)17/h6-10H2,1-5H3,(H,18,19)
InChIKeyBLICFJFLTICQME-UHFFFAOYSA-N
XLogP3.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.41
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',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',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
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide
CID 109452761

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide (CID 109453552) is N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide is C/N=C(\NCCCCC(F)(F)F)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide?
The InChIKey is BLICFJFLTICQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-12(2)10-20(13(12,3)4)11(18-5)19-9-7-6-8-14(15,16)17/h6-10H2,1-5H3,(H,18,19).
What are the key properties of N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide has a molecular weight of 293.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109453552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).