N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

C22H33IN4O2 — CID 109452772

IUPACN'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C22H32N4O2.HI/c1-6-23-20(26-15-21(2,3)22(26,4)5)24-13-9-10-14-25-18(27)16-11-7-8-12-17(16)19(25)28;/h7-8,11-12H,6,9-10,13-15H2,1-5H3,(H,23,24);1H
InChIKeyNSIQDCAGJCXHSC-UHFFFAOYSA-N
MW512.44 g/mol
LogP3.77
Rot. Bonds6

About N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide

N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109452772) has the molecular formula C22H33IN4O2 and a molecular weight of 512.44 g/mol. Its IUPAC name is N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109452772
Molecular FormulaC22H33IN4O2
Molecular Weight512.44 g/mol
Exact Mass512.16
IUPAC NameN'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CC(C)(C)C1(C)C.I
InChIInChI=1S/C22H32N4O2.HI/c1-6-23-20(26-15-21(2,3)22(26,4)5)24-13-9-10-14-25-18(27)16-11-7-8-12-17(16)19(25)28;/h7-8,11-12H,6,9-10,13-15H2,1-5H3,(H,23,24);1H
InChIKeyNSIQDCAGJCXHSC-UHFFFAOYSA-N
XLogP3.77
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(dimethylamino)propyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454083
N-ethyl-N'-[2-(2-fluorophenyl)sulfonylethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453735
methyl 7-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]heptanoate
CID 109452409
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979415
3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 109452010
N'-[3-(1H-benzimidazol-2-yl)propyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109454350
N,N-diethyl-3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 109453823
N-ethyl-N'-[3-(2-methoxyethoxy)propyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453162
N-ethyl-N'-(2-hydroxy-3-phenylpropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453173
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452851
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide
CID 109453196
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 111831270

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide (CID 109452772) is N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CC(C)(C)C1(C)C.I.
What is the InChIKey of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is NSIQDCAGJCXHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2.HI/c1-6-23-20(26-15-21(2,3)22(26,4)5)24-13-9-10-14-25-18(27)16-11-7-8-12-17(16)19(25)28;/h7-8,11-12H,6,9-10,13-15H2,1-5H3,(H,23,24);1H.
What are the key properties of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide?
N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 512.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109452772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).