3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine

C11H23F3N4O — CID 104884476

IUPAC3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(=N/CCCOCC)NN
InChIInChI=1S/C11H23F3N4O/c1-3-7-18(9-11(12,13)14)10(17-15)16-6-5-8-19-4-2/h3-9,15H2,1-2H3,(H,16,17)
InChIKeyVLWKGIGZHHEPIK-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.51
Rot. Bonds8

About 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine

3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 104884476) has the molecular formula C11H23F3N4O and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID104884476
Molecular FormulaC11H23F3N4O
Molecular Weight284.33 g/mol
Exact Mass284.18
IUPAC Name3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
SMILESCCCN(CC(F)(F)F)/C(=N/CCCOCC)NN
InChIInChI=1S/C11H23F3N4O/c1-3-7-18(9-11(12,13)14)10(17-15)16-6-5-8-19-4-2/h3-9,15H2,1-2H3,(H,16,17)
InChIKeyVLWKGIGZHHEPIK-UHFFFAOYSA-N
XLogP1.51
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.51
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-2-(3-ethoxypropyl)-1-propyl-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-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine (CID 104884476) is 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is CCCN(CC(F)(F)F)/C(=N/CCCOCC)NN.
What is the InChIKey of 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is VLWKGIGZHHEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N4O/c1-3-7-18(9-11(12,13)14)10(17-15)16-6-5-8-19-4-2/h3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine?
3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 284.33 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethoxypropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 104884476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).