3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine

C7H15F3N4O — CID 104884165

IUPAC3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCOCC/N=C(\NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H15F3N4O/c1-14(5-7(8,9)10)6(13-11)12-3-4-15-2/h3-5,11H2,1-2H3,(H,12,13)
InChIKeyBWLYOQCXZIOFLS-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.05
Rot. Bonds4

About 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine

3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884165) has the molecular formula C7H15F3N4O and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884165
Molecular FormulaC7H15F3N4O
Molecular Weight228.22 g/mol
Exact Mass228.12
IUPAC Name3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCOCC/N=C(\NN)N(C)CC(F)(F)F
InChIInChI=1S/C7H15F3N4O/c1-14(5-7(8,9)10)6(13-11)12-3-4-15-2/h3-5,11H2,1-2H3,(H,12,13)
InChIKeyBWLYOQCXZIOFLS-UHFFFAOYSA-N
XLogP-0.05
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 104882249
1-Amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884155
3-Amino-2-(3-ethoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884157
3-Amino-2-(3-methoxypropyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884160
3-Amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884422
3-Amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884431
3-Amino-1-ethyl-2-(3-methoxypropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884436
3-Amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884441
3-Amino-2-(1-methoxypropan-2-yl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884474
1-Amino-3-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885809
N-amino-N'-(2-methoxyethyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885936

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884165) is 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is COCC/N=C(\NN)N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is BWLYOQCXZIOFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O/c1-14(5-7(8,9)10)6(13-11)12-3-4-15-2/h3-5,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 228.22 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyethyl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).