N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide

C11H22F3IN4O — CID 111066452

IUPACN'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(CCC/N=C(\N)N1CCOCC1)CC(F)(F)F.I
InChIInChI=1S/C11H21F3N4O.HI/c1-17(9-11(12,13)14)4-2-3-16-10(15)18-5-7-19-8-6-18;/h2-9H2,1H3,(H2,15,16);1H
InChIKeyCHGGAOCNWKYVBY-UHFFFAOYSA-N
MW410.22 g/mol
LogP1.14
Rot. Bonds5

About N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide

N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111066452) has the molecular formula C11H22F3IN4O and a molecular weight of 410.22 g/mol. Its IUPAC name is N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111066452
Molecular FormulaC11H22F3IN4O
Molecular Weight410.22 g/mol
Exact Mass410.08
IUPAC NameN'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(CCC/N=C(\N)N1CCOCC1)CC(F)(F)F.I
InChIInChI=1S/C11H21F3N4O.HI/c1-17(9-11(12,13)14)4-2-3-16-10(15)18-5-7-19-8-6-18;/h2-9H2,1H3,(H2,15,16);1H
InChIKeyCHGGAOCNWKYVBY-UHFFFAOYSA-N
XLogP1.14
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide (CID 111066452) is N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide is CN(CCC/N=C(\N)N1CCOCC1)CC(F)(F)F.I.
What is the InChIKey of N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is CHGGAOCNWKYVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O.HI/c1-17(9-11(12,13)14)4-2-3-16-10(15)18-5-7-19-8-6-18;/h2-9H2,1H3,(H2,15,16);1H.
What are the key properties of N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 410.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111066452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).