tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate

C15H30N4O3 — CID 111781936

IUPACtert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate
SMILESCCN/C(=N\CC(=O)OC(C)(C)C)NCCN1CCOCC1
InChIInChI=1S/C15H30N4O3/c1-5-16-14(18-12-13(20)22-15(2,3)4)17-6-7-19-8-10-21-11-9-19/h5-12H2,1-4H3,(H2,16,17,18)
InChIKeyFNGCHZMQGLETEJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.22
Rot. Bonds6

About tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate

tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate (PubChem CID 111781936) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate
PubChem CID111781936
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Nametert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate
SMILESCCN/C(=N\CC(=O)OC(C)(C)C)NCCN1CCOCC1
InChIInChI=1S/C15H30N4O3/c1-5-16-14(18-12-13(20)22-15(2,3)4)17-6-7-19-8-10-21-11-9-19/h5-12H2,1-4H3,(H2,16,17,18)
InChIKeyFNGCHZMQGLETEJ-UHFFFAOYSA-N
XLogP0.22
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

tert-butyl 2-[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]acetate
CID 111787645
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
tert-butyl 7-[[N-ethyl-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]heptanoate;hydroiodide
CID 111826261
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110972315
2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500281
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
tert-butyl 2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetate
CID 111544491
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111611486
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
CID 110972655
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188316
tert-butyl 2-[[ethylamino-(3-methylbutylamino)methylidene]amino]acetate
CID 111548161
1-ethyl-2-(2-methoxy-3,3-dimethylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111709662

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate?
The IUPAC name of tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate (CID 111781936) is tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate?
The canonical SMILES for tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate is CCN/C(=N\CC(=O)OC(C)(C)C)NCCN1CCOCC1.
What is the InChIKey of tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate?
The InChIKey is FNGCHZMQGLETEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-5-16-14(18-12-13(20)22-15(2,3)4)17-6-7-19-8-10-21-11-9-19/h5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate?
tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate has a molecular weight of 314.43 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate is sourced from PubChem (CID 111781936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).