N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide

C16H33N3O — CID 109452093

IUPACN-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)(CC)CC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H33N3O/c1-8-16(20,9-2)11-18-13(17-10-3)19-12-14(4,5)15(19,6)7/h20H,8-12H2,1-7H3,(H,17,18)
InChIKeyIXOPVMDBEGUJTE-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.62
Rot. Bonds5

About N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide

N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide (PubChem CID 109452093) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
PubChem CID109452093
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
SMILESCCN/C(=N\CC(O)(CC)CC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C16H33N3O/c1-8-16(20,9-2)11-18-13(17-10-3)19-12-14(4,5)15(19,6)7/h20H,8-12H2,1-7H3,(H,17,18)
InChIKeyIXOPVMDBEGUJTE-UHFFFAOYSA-N
XLogP2.62
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453440
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109452355
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109454088
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylethyl)azetidine-1-carboximidamide
CID 109453196
N'-(2,2-dimethyl-4-methylsulfonylbutyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453099
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454087
N'-[3-(dimethylamino)propyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454083
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide
CID 109453088
methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate
CID 109452059
N-ethyl-2,2,3,3-tetramethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452022
N-ethyl-N'-[3-(2-methoxyethoxy)propyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453162
N,N-diethyl-3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]propanamide;hydroiodide
CID 109453823

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide (CID 109452093) is N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide is CCN/C(=N\CC(O)(CC)CC)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
The InChIKey is IXOPVMDBEGUJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-8-16(20,9-2)11-18-13(17-10-3)19-12-14(4,5)15(19,6)7/h20H,8-12H2,1-7H3,(H,17,18).
What are the key properties of N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide?
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide has a molecular weight of 283.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide is sourced from PubChem (CID 109452093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).