N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide

C12H22F3IN4O2 — CID 120973864

IUPACN'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(N1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N4O2.HI/c13-12(14,15)10(18-1-5-20-6-2-18)9-17-11(16)19-3-7-21-8-4-19;/h10H,1-9H2,(H2,16,17);1H
InChIKeySKUMDMPLBNOXLD-UHFFFAOYSA-N
MW438.23 g/mol
LogP0.51
Rot. Bonds3

About N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide

N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 120973864) has the molecular formula C12H22F3IN4O2 and a molecular weight of 438.23 g/mol. Its IUPAC name is N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID120973864
Molecular FormulaC12H22F3IN4O2
Molecular Weight438.23 g/mol
Exact Mass438.07
IUPAC NameN'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC(N1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N4O2.HI/c13-12(14,15)10(18-1-5-20-6-2-18)9-17-11(16)19-3-7-21-8-4-19;/h10H,1-9H2,(H2,16,17);1H
InChIKeySKUMDMPLBNOXLD-UHFFFAOYSA-N
XLogP0.51
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 50.51
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide (CID 120973864) is N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC(N1CCOCC1)C(F)(F)F)N1CCOCC1.
What is the InChIKey of N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is SKUMDMPLBNOXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O2.HI/c13-12(14,15)10(18-1-5-20-6-2-18)9-17-11(16)19-3-7-21-8-4-19;/h10H,1-9H2,(H2,16,17);1H.
What are the key properties of N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide?
N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 438.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120973864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).