3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide

C8H18FN3O — CID 80693770

IUPAC3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCF)CCOC
InChIInChI=1S/C8H18FN3O/c1-13-7-6-12(5-3-9)4-2-8(10)11/h2-7H2,1H3,(H3,10,11)
InChIKeyYNGUNUYYEYVVFL-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.23
Rot. Bonds8

About 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide

3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide (PubChem CID 80693770) has the molecular formula C8H18FN3O and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide
PubChem CID80693770
Molecular FormulaC8H18FN3O
Molecular Weight191.25 g/mol
Exact Mass191.14
IUPAC Name3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCF)CCOC
InChIInChI=1S/C8H18FN3O/c1-13-7-6-12(5-3-9)4-2-8(10)11/h2-7H2,1H3,(H3,10,11)
InChIKeyYNGUNUYYEYVVFL-UHFFFAOYSA-N
XLogP0.23
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.23
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'}

Analyze 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide 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-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide (CID 80693770) is 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCF)CCOC.
What is the InChIKey of 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide?
The InChIKey is YNGUNUYYEYVVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O/c1-13-7-6-12(5-3-9)4-2-8(10)11/h2-7H2,1H3,(H3,10,11).
What are the key properties of 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide?
3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide has a molecular weight of 191.25 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 80693770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).