2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide

C7H16FN3O — CID 81106381

IUPAC2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CCCF)CC(N)=NO
InChIInChI=1S/C7H16FN3O/c1-2-11(5-3-4-8)6-7(9)10-12/h12H,2-6H2,1H3,(H2,9,10)
InChIKeyVGRGYIKKPJDVLK-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.41
Rot. Bonds6

About 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide

2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide (PubChem CID 81106381) has the molecular formula C7H16FN3O and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide
PubChem CID81106381
Molecular FormulaC7H16FN3O
Molecular Weight177.22 g/mol
Exact Mass177.13
IUPAC Name2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CCCF)CC(N)=NO
InChIInChI=1S/C7H16FN3O/c1-2-11(5-3-4-8)6-7(9)10-12/h12H,2-6H2,1H3,(H2,9,10)
InChIKeyVGRGYIKKPJDVLK-UHFFFAOYSA-N
XLogP0.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide (CID 81106381) is 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide is CCN(CCCF)CC(N)=NO.
What is the InChIKey of 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is VGRGYIKKPJDVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN3O/c1-2-11(5-3-4-8)6-7(9)10-12/h12H,2-6H2,1H3,(H2,9,10).
What are the key properties of 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide?
2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 177.22 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(3-fluoropropyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 81106381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).