methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate

C15H29N3O2 — CID 109452059

IUPACmethyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate
SMILESCCN/C(=N\CC(C)C(=O)OC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H29N3O2/c1-8-16-13(17-9-11(2)12(19)20-7)18-10-14(3,4)15(18,5)6/h11H,8-10H2,1-7H3,(H,16,17)
InChIKeyNJBYUQOKRPJUBW-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.88
Rot. Bonds4

About methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate

methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate (PubChem CID 109452059) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate
PubChem CID109452059
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Namemethyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate
SMILESCCN/C(=N\CC(C)C(=O)OC)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H29N3O2/c1-8-16-13(17-9-11(2)12(19)20-7)18-10-14(3,4)15(18,5)6/h11H,8-10H2,1-7H3,(H,16,17)
InChIKeyNJBYUQOKRPJUBW-UHFFFAOYSA-N
XLogP1.88
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.88
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'}

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Related Compounds

N-ethyl-2,2,3,3-tetramethyl-N'-(2-methylsulfanylpropyl)azetidine-1-carboximidamide
CID 109453088
methyl 3-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 110956293
methyl 7-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]heptanoate
CID 109452409
methyl 3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-2-methylpropanoate
CID 111153272
N-ethyl-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452120
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109452093
N-ethyl-N'-[3-(2-methoxyethoxy)propyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide
CID 109453162
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109453187
methyl 3-[bis(ethylamino)methylideneamino]-2-methylpropanoate;hydroiodide
CID 110930532
N-ethyl-2,2,3,3-tetramethyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)azetidine-1-carboximidamide;hydroiodide
CID 109452022
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate (CID 109452059) is methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate is CCN/C(=N\CC(C)C(=O)OC)N1CC(C)(C)C1(C)C.
What is the InChIKey of methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate?
The InChIKey is NJBYUQOKRPJUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-8-16-13(17-9-11(2)12(19)20-7)18-10-14(3,4)15(18,5)6/h11H,8-10H2,1-7H3,(H,16,17).
What are the key properties of methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate?
methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate has a molecular weight of 283.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-2-methylpropanoate is sourced from PubChem (CID 109452059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).