1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

C7H15F3N4O — CID 104886394

IUPAC1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4O/c1-2-12-6(14-11)13-3-4-15-5-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14)
InChIKeyKYCUARZIUZRAKQ-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.01
Rot. Bonds5

About 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine

1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (PubChem CID 104886394) has the molecular formula C7H15F3N4O and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
PubChem CID104886394
Molecular FormulaC7H15F3N4O
Molecular Weight228.22 g/mol
Exact Mass228.12
IUPAC Name1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCC(F)(F)F)NN
InChIInChI=1S/C7H15F3N4O/c1-2-12-6(14-11)13-3-4-15-5-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14)
InChIKeyKYCUARZIUZRAKQ-UHFFFAOYSA-N
XLogP-0.01
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
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

1,3-diethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110914981
1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802
1-ethyl-2-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111226656
1-amino-3-ethyl-2-(4,4,4-trifluorobutyl)guanidine
CID 104888051
1-ethyl-3-hexyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111160875
1-(2-ethoxyethyl)-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111894382
1-tert-butyl-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 110964776
1-ethyl-3-(3-methylbutyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 110977407
1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111235880
1-ethyl-2-(3-phenylpropyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111199186
1,3-diethyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 110925969
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111397561

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The IUPAC name of 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine (CID 104886394) is 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is CCN/C(=N\CCOCC(F)(F)F)NN.
What is the InChIKey of 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
The InChIKey is KYCUARZIUZRAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O/c1-2-12-6(14-11)13-3-4-15-5-7(8,9)10/h2-5,11H2,1H3,(H2,12,13,14).
What are the key properties of 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine?
1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine has a molecular weight of 228.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine is sourced from PubChem (CID 104886394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).