N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

C16H26IN3 — CID 109453353

IUPACN-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccccc1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H25N3.HI/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-13-9-7-6-8-10-13;/h6-10H,11-12H2,1-5H3,(H,17,18);1H
InChIKeyJTWOWZLQVVVUIY-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.50
Rot. Bonds2

About N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109453353) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109453353
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC NameN-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccccc1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C16H25N3.HI/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-13-9-7-6-8-10-13;/h6-10H,11-12H2,1-5H3,(H,17,18);1H
InChIKeyJTWOWZLQVVVUIY-UHFFFAOYSA-N
XLogP3.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.50
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-benzyl-2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]acetamide
CID 109451915
N-[(4-methoxyphenyl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452660
N-[[4-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453071
N-[2-(benzylsulfamoyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451835
N-[[3-(methoxymethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453396
methyl 4-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]benzoate;hydroiodide
CID 109451908
N',2,2,3,3-pentamethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]azetidine-1-carboximidamide
CID 109453616
N-[4-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 109452596
N',2,2,3,3-pentamethyl-N-(thiophen-2-ylmethyl)azetidine-1-carboximidamide
CID 109453662
N-[2-[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109452688
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453028
N-tert-butyl-3-[[[N-methyl-C-(2,2,3,3-tetramethylazetidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109453905

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (CID 109453353) is N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccccc1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is JTWOWZLQVVVUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-15(2)12-19(16(15,3)4)14(17-5)18-11-13-9-7-6-8-10-13;/h6-10H,11-12H2,1-5H3,(H,17,18);1H.
What are the key properties of N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).