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

C13H23F3N4O2 — CID 120973873

IUPAC2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(N2CCOCC2)C(F)(F)F)CCO1
InChIInChI=1S/C13H23F3N4O2/c1-10-9-20(4-7-22-10)12(17)18-8-11(13(14,15)16)19-2-5-21-6-3-19/h10-11H,2-9H2,1H3,(H2,17,18)
InChIKeyZPFSHCFIEBNVAA-UHFFFAOYSA-N
MW324.35 g/mol
LogP0.28
Rot. Bonds3

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

2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide (PubChem CID 120973873) has the molecular formula C13H23F3N4O2 and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
PubChem CID120973873
Molecular FormulaC13H23F3N4O2
Molecular Weight324.35 g/mol
Exact Mass324.18
IUPAC Name2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(N2CCOCC2)C(F)(F)F)CCO1
InChIInChI=1S/C13H23F3N4O2/c1-10-9-20(4-7-22-10)12(17)18-8-11(13(14,15)16)19-2-5-21-6-3-19/h10-11H,2-9H2,1H3,(H2,17,18)
InChIKeyZPFSHCFIEBNVAA-UHFFFAOYSA-N
XLogP0.28
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.28
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'}

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Related Compounds

N'-methyl-N-(4-morpholin-4-ylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376247
N-ethyl-N'-(2-morpholin-4-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376433
N-ethyl-N'-(4-morpholin-4-ylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376909
N-ethyl-N'-(3-morpholin-4-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376947
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376948
N-ethyl-N'-(2-morpholin-4-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376949
N-ethyl-N'-[2-(3-methylmorpholin-4-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377199
N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378394
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378667
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378668
N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378811
N-ethyl-N'-[(4-methylmorpholin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378812

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide (CID 120973873) is 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide is CC1CN(/C(N)=N/CC(N2CCOCC2)C(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
The InChIKey is ZPFSHCFIEBNVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4O2/c1-10-9-20(4-7-22-10)12(17)18-8-11(13(14,15)16)19-2-5-21-6-3-19/h10-11H,2-9H2,1H3,(H2,17,18).
What are the key properties of 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide?
2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide has a molecular weight of 324.35 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3,3,3-trifluoro-2-morpholin-4-ylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 120973873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).