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

C11H21F3N4O — CID 111066453

IUPACN'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide
SMILESCN(CCC/N=C(\N)N1CCOCC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N4O/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)
InChIKeyFALQWZIXOIGHJC-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.52
Rot. Bonds5

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

N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide (PubChem CID 111066453) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide
PubChem CID111066453
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC NameN'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide
SMILESCN(CCC/N=C(\N)N1CCOCC1)CC(F)(F)F
InChIInChI=1S/C11H21F3N4O/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)
InChIKeyFALQWZIXOIGHJC-UHFFFAOYSA-N
XLogP0.52
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.52
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'}

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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-(2-morpholin-4-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 91659449
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
2-Methyl-1-(4-morpholin-4-ylbutyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471146
2-Methyl-1-(4-morpholin-4-ylbutyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109471147
1-Ethyl-2-(4-morpholin-4-ylbutyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471708
1-Ethyl-2-(4-morpholin-4-ylbutyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109471709
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

Frequently Asked Questions

What is the IUPAC name of N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide (CID 111066453) is N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide is CN(CCC/N=C(\N)N1CCOCC1)CC(F)(F)F.
What is the InChIKey of N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide?
The InChIKey is FALQWZIXOIGHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/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).
What are the key properties of N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide?
N'-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]morpholine-4-carboximidamide has a molecular weight of 282.31 g/mol, XLogP of 0.52, 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 is sourced from PubChem (CID 111066453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).