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

C10H18F3N3O — CID 120662152

IUPAC2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(C)C(F)(F)F)CCO1
InChIInChI=1S/C10H18F3N3O/c1-7(10(11,12)13)5-15-9(14)16-3-4-17-8(2)6-16/h7-8H,3-6H2,1-2H3,(H2,14,15)
InChIKeySRUDRHURZPIBBY-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.22
Rot. Bonds2

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

2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide (PubChem CID 120662152) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide
PubChem CID120662152
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(C)C(F)(F)F)CCO1
InChIInChI=1S/C10H18F3N3O/c1-7(10(11,12)13)5-15-9(14)16-3-4-17-8(2)6-16/h7-8H,3-6H2,1-2H3,(H2,14,15)
InChIKeySRUDRHURZPIBBY-UHFFFAOYSA-N
XLogP1.22
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 91644058
2-methyl-1-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848257
2-methyl-1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 99848258
1-Ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471790
1-Ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471791
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471966
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109471967
2-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472558
2-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472559
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472974
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472975
1-Ethyl-2-(2-methyl-3-morpholin-4-ylpropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474654

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide (CID 120662152) is 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide is CC1CN(/C(N)=N/CC(C)C(F)(F)F)CCO1.
What is the InChIKey of 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide?
The InChIKey is SRUDRHURZPIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-7(10(11,12)13)5-15-9(14)16-3-4-17-8(2)6-16/h7-8H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide?
2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide has a molecular weight of 253.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(3,3,3-trifluoro-2-methylpropyl)morpholine-4-carboximidamide is sourced from PubChem (CID 120662152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).