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

C8H17F3N4O — CID 104884441

IUPAC3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(=N/CCOC)NN
InChIInChI=1S/C8H17F3N4O/c1-3-15(6-8(9,10)11)7(14-12)13-4-5-16-2/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyVHHPSXHPIPXCKC-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.34
Rot. Bonds5

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

3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884441) has the molecular formula C8H17F3N4O and a molecular weight of 242.24 g/mol. Its IUPAC name is 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884441
Molecular FormulaC8H17F3N4O
Molecular Weight242.24 g/mol
Exact Mass242.14
IUPAC Name3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCN(CC(F)(F)F)/C(=N/CCOC)NN
InChIInChI=1S/C8H17F3N4O/c1-3-15(6-8(9,10)11)7(14-12)13-4-5-16-2/h3-6,12H2,1-2H3,(H,13,14)
InChIKeyVHHPSXHPIPXCKC-UHFFFAOYSA-N
XLogP0.34
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.34
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'}

Analyze 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine (CID 104884441) is 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine is CCN(CC(F)(F)F)/C(=N/CCOC)NN.
What is the InChIKey of 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is VHHPSXHPIPXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N4O/c1-3-15(6-8(9,10)11)7(14-12)13-4-5-16-2/h3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 242.24 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).