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

C18H33F3N4 — CID 109452149

IUPACN',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide
SMILESC/N=C(\NCCC1CCN(CC(F)(F)F)CC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C18H33F3N4/c1-16(2)12-25(17(16,3)4)15(22-5)23-9-6-14-7-10-24(11-8-14)13-18(19,20)21/h14H,6-13H2,1-5H3,(H,22,23)
InChIKeyIQKCJGDGRBFTTN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.35
Rot. Bonds4

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

N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide (PubChem CID 109452149) has the molecular formula C18H33F3N4 and a molecular weight of 362.48 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide
PubChem CID109452149
Molecular FormulaC18H33F3N4
Molecular Weight362.48 g/mol
Exact Mass362.27
IUPAC NameN',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide
SMILESC/N=C(\NCCC1CCN(CC(F)(F)F)CC1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C18H33F3N4/c1-16(2)12-25(17(16,3)4)15(22-5)23-9-6-14-7-10-24(11-8-14)13-18(19,20)21/h14H,6-13H2,1-5H3,(H,22,23)
InChIKeyIQKCJGDGRBFTTN-UHFFFAOYSA-N
XLogP3.35
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.35
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'}

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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-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-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'-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]azetidine-1-carboximidamide
CID 109452385
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide;hydroiodide
CID 109453433
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
CID 109453576

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide (CID 109452149) is N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide is C/N=C(\NCCC1CCN(CC(F)(F)F)CC1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide?
The InChIKey is IQKCJGDGRBFTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3N4/c1-16(2)12-25(17(16,3)4)15(22-5)23-9-6-14-7-10-24(11-8-14)13-18(19,20)21/h14H,6-13H2,1-5H3,(H,22,23).
What are the key properties of N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide has a molecular weight of 362.48 g/mol, XLogP of 3.35, 4 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-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]azetidine-1-carboximidamide is sourced from PubChem (CID 109452149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).