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

C14H29N3S — CID 109453088

IUPACN-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)SC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H29N3S/c1-8-15-12(16-9-11(2)18-7)17-10-13(3,4)14(17,5)6/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyBSVQMGIRNRYYNZ-UHFFFAOYSA-N
MW271.47 g/mol
LogP2.82
Rot. Bonds4

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

N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide (PubChem CID 109453088) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide
PubChem CID109453088
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC NameN-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)SC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C14H29N3S/c1-8-15-12(16-9-11(2)18-7)17-10-13(3,4)14(17,5)6/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyBSVQMGIRNRYYNZ-UHFFFAOYSA-N
XLogP2.82
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 52.82
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'}

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Related Compounds

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-methylsulfanylethyl)azetidine-1-carboximidamide
CID 109453196
N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452120
N'-(2,2-diethyl-4-hydroxybutyl)-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453440
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109454088
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452093
N'-[2-(diethylamino)ethyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454087
N-ethyl-N'-(2-hydroxy-3-phenylpropyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453173
N-ethyl-2,2,3,3-tetramethyl-N'-(5,5,5-trifluoropentyl)azetidine-1-carboximidamide
CID 109452355
N'-[3-(dimethylamino)propyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454083
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453187
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfonylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452094

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide?
The IUPAC name of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide (CID 109453088) is N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide?
The canonical SMILES for N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide is CCN/C(=N\CC(C)SC)N1CC(C)(C)C1(C)C.
What is the InChIKey of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide?
The InChIKey is BSVQMGIRNRYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-8-15-12(16-9-11(2)18-7)17-10-13(3,4)14(17,5)6/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide?
N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide has a molecular weight of 271.47 g/mol, XLogP of 2.82, 4 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'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide is sourced from PubChem (CID 109453088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).