1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

C11H23F3N4O — CID 111836737

IUPAC1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESC/N=C(/NCCN(C)CC(F)(F)F)NC(C)COC
InChIInChI=1S/C11H23F3N4O/c1-9(7-19-4)17-10(15-2)16-5-6-18(3)8-11(12,13)14/h9H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyDLUPVOIFFMXZJW-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.68
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine

1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (PubChem CID 111836737) has the molecular formula C11H23F3N4O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
PubChem CID111836737
Molecular FormulaC11H23F3N4O
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Name1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
SMILESC/N=C(/NCCN(C)CC(F)(F)F)NC(C)COC
InChIInChI=1S/C11H23F3N4O/c1-9(7-19-4)17-10(15-2)16-5-6-18(3)8-11(12,13)14/h9H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyDLUPVOIFFMXZJW-UHFFFAOYSA-N
XLogP0.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500521
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111237485
N-(1-methoxypropan-2-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559356
1-(2-methoxyethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237010
1-[7-(dimethylamino)heptyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111234938
1-(2-methoxyethyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 110941607
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111236038
1-butyl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111835244
1-(1-methoxypropan-2-yl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111236637
2-methyl-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-pentylguanidine;hydroiodide
CID 111834770
1-(2-ethylsulfonylethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111234643
2-methyl-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3-[3-(1-phenylethoxy)propyl]guanidine;hydroiodide
CID 111840108

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine (CID 111836737) is 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is C/N=C(/NCCN(C)CC(F)(F)F)NC(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
The InChIKey is DLUPVOIFFMXZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-9(7-19-4)17-10(15-2)16-5-6-18(3)8-11(12,13)14/h9H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine?
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine has a molecular weight of 284.33 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine is sourced from PubChem (CID 111836737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).