2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide

C7H16FN3O — CID 81106492

IUPAC2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CCCF
InChIInChI=1S/C7H16FN3O/c1-6(7(9)10-12)11(2)5-3-4-8/h6,12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyLDDKEEQMPPKSFA-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.41
Rot. Bonds5

About 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide

2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 81106492) has the molecular formula C7H16FN3O and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID81106492
Molecular FormulaC7H16FN3O
Molecular Weight177.22 g/mol
Exact Mass177.13
IUPAC Name2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CCCF
InChIInChI=1S/C7H16FN3O/c1-6(7(9)10-12)11(2)5-3-4-8/h6,12H,3-5H2,1-2H3,(H2,9,10)
InChIKeyLDDKEEQMPPKSFA-UHFFFAOYSA-N
XLogP0.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.41
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 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide (CID 81106492) is 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)CCCF.
What is the InChIKey of 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is LDDKEEQMPPKSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN3O/c1-6(7(9)10-12)11(2)5-3-4-8/h6,12H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 177.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoropropyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 81106492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).