N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide

C17H35IN4O — CID 109452120

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C17H34N4O.HI/c1-7-18-15(21-13-16(3,4)17(21,5)6)19-12-14(2)20-8-10-22-11-9-20;/h14H,7-13H2,1-6H3,(H,18,19);1H
InChIKeyNKXMOAYZQKLBQK-UHFFFAOYSA-N
MW438.40 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide

N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide (PubChem CID 109452120) has the molecular formula C17H35IN4O and a molecular weight of 438.40 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
PubChem CID109452120
Molecular FormulaC17H35IN4O
Molecular Weight438.40 g/mol
Exact Mass438.19
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C17H34N4O.HI/c1-7-18-15(21-13-16(3,4)17(21,5)6)19-12-14(2)20-8-10-22-11-9-20;/h14H,7-13H2,1-6H3,(H,18,19);1H
InChIKeyNKXMOAYZQKLBQK-UHFFFAOYSA-N
XLogP2.41
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 111739906
N-ethyl-2,2,3,3-tetramethyl-N'-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452810
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide
CID 109453088
N-ethyl-N'-(2-morpholin-4-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144365
N',2,2,3,3-pentamethyl-N-(3-methyl-2-morpholin-4-ylbutyl)azetidine-1-carboximidamide;hydroiodide
CID 109453307
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111145731
methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate
CID 109452059
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021484
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide (CID 109452120) is N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide?
The InChIKey is NKXMOAYZQKLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O.HI/c1-7-18-15(21-13-16(3,4)17(21,5)6)19-12-14(2)20-8-10-22-11-9-20;/h14H,7-13H2,1-6H3,(H,18,19);1H.
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide?
N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide has a molecular weight of 438.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).