2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide

C9H17F2IN4O2 — CID 120663315

IUPAC2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)NCC(F)F)N1CCOCC1
InChIInChI=1S/C9H16F2N4O2.HI/c10-7(11)5-13-8(16)6-14-9(12)15-1-3-17-4-2-15;/h7H,1-6H2,(H2,12,14)(H,13,16);1H
InChIKeyIYVLTYPNHBUPSD-UHFFFAOYSA-N
MW378.16 g/mol
LogP-0.37
Rot. Bonds4

About 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide

2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide (PubChem CID 120663315) has the molecular formula C9H17F2IN4O2 and a molecular weight of 378.16 g/mol. Its IUPAC name is 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide
PubChem CID120663315
Molecular FormulaC9H17F2IN4O2
Molecular Weight378.16 g/mol
Exact Mass378.04
IUPAC Name2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)NCC(F)F)N1CCOCC1
InChIInChI=1S/C9H16F2N4O2.HI/c10-7(11)5-13-8(16)6-14-9(12)15-1-3-17-4-2-15;/h7H,1-6H2,(H2,12,14)(H,13,16);1H
InChIKeyIYVLTYPNHBUPSD-UHFFFAOYSA-N
XLogP-0.37
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663326
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663332
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111036986
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide
CID 120913573
N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662401
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465
tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
CID 119146780
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111091935
2-[[amino(morpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819646
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093861
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091936

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide (CID 120663315) is 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide is I.N/C(=N\CC(=O)NCC(F)F)N1CCOCC1.
What is the InChIKey of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide?
The InChIKey is IYVLTYPNHBUPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4O2.HI/c10-7(11)5-13-8(16)6-14-9(12)15-1-3-17-4-2-15;/h7H,1-6H2,(H2,12,14)(H,13,16);1H.
What are the key properties of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide?
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide has a molecular weight of 378.16 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide;hydroiodide is sourced from PubChem (CID 120663315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).