N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide

C15H30IN3O — CID 109453799

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCO1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H29N3O.HI/c1-6-16-13(17-10-12-8-7-9-19-12)18-11-14(2,3)15(18,4)5;/h12H,6-11H2,1-5H3,(H,16,17);1H
InChIKeyMWTFDHBHDRAIKZ-UHFFFAOYSA-N
MW395.33 g/mol
LogP2.87
Rot. Bonds3

About N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109453799) has the molecular formula C15H30IN3O and a molecular weight of 395.33 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109453799
Molecular FormulaC15H30IN3O
Molecular Weight395.33 g/mol
Exact Mass395.14
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCCO1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C15H29N3O.HI/c1-6-16-13(17-10-12-8-7-9-19-12)18-11-14(2,3)15(18,4)5;/h12H,6-11H2,1-5H3,(H,16,17);1H
InChIKeyMWTFDHBHDRAIKZ-UHFFFAOYSA-N
XLogP2.87
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 52.87
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethyl-N'-(oxolan-2-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109489280
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]acetamide
CID 110043137
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454339
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454087
1-(2,2-dimethylcyclopropyl)-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 119129933
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452008
N'-[3-(dimethylamino)propyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454083
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164
N-ethyl-2,2,3,3-tetramethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452022
N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452120
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide
CID 109453196
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109454088

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide (CID 109453799) is N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCCO1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is MWTFDHBHDRAIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.HI/c1-6-16-13(17-10-12-8-7-9-19-12)18-11-14(2,3)15(18,4)5;/h12H,6-11H2,1-5H3,(H,16,17);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 395.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-(oxolan-2-ylmethyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).