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

C9H20FN3O — CID 81106621

IUPAC3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCF)CCOC
InChIInChI=1S/C9H20FN3O/c1-14-8-7-13(5-2-4-10)6-3-9(11)12/h2-8H2,1H3,(H3,11,12)
InChIKeyNXFMEMFAUKFFMQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.62
Rot. Bonds9

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

3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide (PubChem CID 81106621) has the molecular formula C9H20FN3O and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide
PubChem CID81106621
Molecular FormulaC9H20FN3O
Molecular Weight205.28 g/mol
Exact Mass205.16
IUPAC Name3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCF)CCOC
InChIInChI=1S/C9H20FN3O/c1-14-8-7-13(5-2-4-10)6-3-9(11)12/h2-8H2,1H3,(H3,11,12)
InChIKeyNXFMEMFAUKFFMQ-UHFFFAOYSA-N
XLogP0.62
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.62
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-[3-fluoropropyl(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-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide (CID 81106621) is 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCCF)CCOC.
What is the InChIKey of 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide?
The InChIKey is NXFMEMFAUKFFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN3O/c1-14-8-7-13(5-2-4-10)6-3-9(11)12/h2-8H2,1H3,(H3,11,12).
What are the key properties of 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide?
3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide has a molecular weight of 205.28 g/mol, XLogP of 0.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 81106621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).