4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine

C8H19FN2O — CID 59356248

IUPAC4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine
SMILESCNCCCCOCCCNF
InChIInChI=1S/C8H19FN2O/c1-10-5-2-3-7-12-8-4-6-11-9/h10-11H,2-8H2,1H3
InChIKeyWZGFWZKGTOMTTP-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.87
Rot. Bonds9

About 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine

4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine (PubChem CID 59356248) has the molecular formula C8H19FN2O and a molecular weight of 178.25 g/mol. Its IUPAC name is 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine
PubChem CID59356248
Molecular FormulaC8H19FN2O
Molecular Weight178.25 g/mol
Exact Mass178.15
IUPAC Name4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine
SMILESCNCCCCOCCCNF
InChIInChI=1S/C8H19FN2O/c1-10-5-2-3-7-12-8-4-6-11-9/h10-11H,2-8H2,1H3
InChIKeyWZGFWZKGTOMTTP-UHFFFAOYSA-N
XLogP0.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine?
The IUPAC name of 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine (CID 59356248) is 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine?
The canonical SMILES for 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine is CNCCCCOCCCNF.
What is the InChIKey of 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine?
The InChIKey is WZGFWZKGTOMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O/c1-10-5-2-3-7-12-8-4-6-11-9/h10-11H,2-8H2,1H3.
What are the key properties of 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine?
4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine has a molecular weight of 178.25 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoroamino)propoxy]-N-methylbutan-1-amine is sourced from PubChem (CID 59356248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).