N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide

C15H31N3 — CID 109452839

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide
SMILESCCN/C(=N\CCC(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H31N3/c1-8-16-13(17-10-9-12(2)3)18-11-14(4,5)15(18,6)7/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyCVDOPUFKMJMEPH-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.12
Rot. Bonds4

About N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide

N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide (PubChem CID 109452839) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide
PubChem CID109452839
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide
SMILESCCN/C(=N\CCC(C)C)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H31N3/c1-8-16-13(17-10-9-12(2)3)18-11-14(4,5)15(18,6)7/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyCVDOPUFKMJMEPH-UHFFFAOYSA-N
XLogP3.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.12
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'}

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Related Compounds

N-(3-fluoropropyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451729
N-ethyl-2,2,3,3-tetramethyl-N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]azetidine-1-carboximidamide
CID 109452065
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109452354
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109452355
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452578
N',2,2,3,3-pentamethyl-N-(3,3,3-trifluoropropyl)azetidine-1-carboximidamide
CID 109452579
N-ethyl-2,2,3,3-tetramethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]azetidine-1-carboximidamide
CID 109452761
N'-(2,2-difluoroethyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452779
N-(2,2-difluoroethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109452943
N-ethyl-N'-(3-fluoropropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453092
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide;hydroiodide
CID 109453551
N',2,2,3,3-pentamethyl-N-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109453552

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide (CID 109452839) is N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide is CCN/C(=N\CCC(C)C)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide?
The InChIKey is CVDOPUFKMJMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-8-16-13(17-10-9-12(2)3)18-11-14(4,5)15(18,6)7/h12H,8-11H2,1-7H3,(H,16,17).
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide?
N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide has a molecular weight of 253.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,3,3-tetramethyl-N'-(3-methylbutyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109452839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).