tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide

C11H22IN3O3 — CID 119146780

IUPACtert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
SMILESCC(C)(C)OC(=O)C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C11H21N3O3.HI/c1-11(2,3)17-9(15)8-13-10(12)14-4-6-16-7-5-14;/h4-8H2,1-3H3,(H2,12,13);1H
InChIKeyIVBYGWVWAIKTAC-UHFFFAOYSA-N
MW371.22 g/mol
LogP0.59
Rot. Bonds2

About tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide

tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide (PubChem CID 119146780) has the molecular formula C11H22IN3O3 and a molecular weight of 371.22 g/mol. Its IUPAC name is tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide.

Molecular Properties

Compound Nametert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
PubChem CID119146780
Molecular FormulaC11H22IN3O3
Molecular Weight371.22 g/mol
Exact Mass371.07
IUPAC Nametert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
SMILESCC(C)(C)OC(=O)C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C11H21N3O3.HI/c1-11(2,3)17-9(15)8-13-10(12)14-4-6-16-7-5-14;/h4-8H2,1-3H3,(H2,12,13);1H
InChIKeyIVBYGWVWAIKTAC-UHFFFAOYSA-N
XLogP0.59
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[[amino(thiomorpholin-4-yl)methylidene]amino]acetate
CID 111801462
tert-butyl 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]acetate;hydroiodide
CID 111801469
tert-butyl 2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]acetate;hydroiodide
CID 119146782
tert-butyl 2-[[[amino(morpholin-4-yl)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111085898
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111036986
tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]-1-(4-propan-2-ylphenyl)ethyl]carbamate;hydroiodide
CID 111101184
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide
CID 120663315
2-[[amino(morpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819646
methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040526
propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
CID 110062039
N'-(2-methyl-2-methylsulfonylpropyl)morpholine-4-carboximidamide
CID 111752152

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide?
The IUPAC name of tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide (CID 119146780) is tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide.
What is the SMILES notation for tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide?
The canonical SMILES for tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide is CC(C)(C)OC(=O)C/N=C(\N)N1CCOCC1.I.
What is the InChIKey of tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide?
The InChIKey is IVBYGWVWAIKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3.HI/c1-11(2,3)17-9(15)8-13-10(12)14-4-6-16-7-5-14;/h4-8H2,1-3H3,(H2,12,13);1H.
What are the key properties of tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide?
tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide has a molecular weight of 371.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide is sourced from PubChem (CID 119146780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).