3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide

C8H18FN3O — CID 81106604

IUPAC3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)CCCF
InChIInChI=1S/C8H18FN3O/c1-7(6-8(10)11-13)12(2)5-3-4-9/h7,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyMMEDPQOAIDZWFF-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.80
Rot. Bonds6

About 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide

3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide (PubChem CID 81106604) has the molecular formula C8H18FN3O and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide
PubChem CID81106604
Molecular FormulaC8H18FN3O
Molecular Weight191.25 g/mol
Exact Mass191.14
IUPAC Name3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)N(C)CCCF
InChIInChI=1S/C8H18FN3O/c1-7(6-8(10)11-13)12(2)5-3-4-9/h7,13H,3-6H2,1-2H3,(H2,10,11)
InChIKeyMMEDPQOAIDZWFF-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-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide (CID 81106604) is 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)N(C)CCCF.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is MMEDPQOAIDZWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3O/c1-7(6-8(10)11-13)12(2)5-3-4-9/h7,13H,3-6H2,1-2H3,(H2,10,11).
What are the key properties of 3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide?
3-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide 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-[3-fluoropropyl(methyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 81106604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).