3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

C8H18FN3O — CID 80695374

IUPAC3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCF)CCC(N)=NO
InChIInChI=1S/C8H18FN3O/c1-7(2)12(6-4-9)5-3-8(10)11-13/h7,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyRMOIGCUKYICLNG-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.80
Rot. Bonds6

About 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide

3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (PubChem CID 80695374) has the molecular formula C8H18FN3O and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
PubChem CID80695374
Molecular FormulaC8H18FN3O
Molecular Weight191.25 g/mol
Exact Mass191.14
IUPAC Name3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
SMILESCC(C)N(CCF)CCC(N)=NO
InChIInChI=1S/C8H18FN3O/c1-7(2)12(6-4-9)5-3-8(10)11-13/h7,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyRMOIGCUKYICLNG-UHFFFAOYSA-N
XLogP0.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.80
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide (CID 80695374) is 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is CC(C)N(CCF)CCC(N)=NO.
What is the InChIKey of 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
The InChIKey is RMOIGCUKYICLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O/c1-7(2)12(6-4-9)5-3-8(10)11-13/h7,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide?
3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide has a molecular weight of 191.25 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoroethyl(propan-2-yl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 80695374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).