N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide

C13H28IN3 — CID 109453347

IUPACN',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C13H27N3.HI/c1-10(2)8-15-11(14-7)16-9-12(3,4)13(16,5)6;/h10H,8-9H2,1-7H3,(H,14,15);1H
InChIKeyQYIQBAAEINOTOE-UHFFFAOYSA-N
MW353.29 g/mol
LogP2.96
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide

N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453347) has the molecular formula C13H28IN3 and a molecular weight of 353.29 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109453347
Molecular FormulaC13H28IN3
Molecular Weight353.29 g/mol
Exact Mass353.13
IUPAC NameN',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)C)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C13H27N3.HI/c1-10(2)8-15-11(14-7)16-9-12(3,4)13(16,5)6;/h10H,8-9H2,1-7H3,(H,14,15);1H
InChIKeyQYIQBAAEINOTOE-UHFFFAOYSA-N
XLogP2.96
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451729
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'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452779
N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109452943
N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453092
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-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide;hydroiodide
CID 109453917

Frequently Asked Questions

What is the IUPAC name of N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide (CID 109453347) is N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C)C)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is QYIQBAAEINOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.HI/c1-10(2)8-15-11(14-7)16-9-12(3,4)13(16,5)6;/h10H,8-9H2,1-7H3,(H,14,15);1H.
What are the key properties of N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide?
N',2,2,3,3-pentamethyl-N-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 353.29 g/mol, XLogP of 2.96, 2 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-(2-methylpropyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).