5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide

C13H20FN3O — CID 77025804

IUPAC5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCCc1ccc(F)cc1)=NO
InChIInChI=1S/C13H20FN3O/c14-12-6-4-11(5-7-12)8-10-16-9-2-1-3-13(15)17-18/h4-7,16,18H,1-3,8-10H2,(H2,15,17)
InChIKeyBSYDXAXPJVWAJK-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.87
Rot. Bonds8

About 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide

5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77025804) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77025804
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
SMILESNC(CCCCNCCc1ccc(F)cc1)=NO
InChIInChI=1S/C13H20FN3O/c14-12-6-4-11(5-7-12)8-10-16-9-2-1-3-13(15)17-18/h4-7,16,18H,1-3,8-10H2,(H2,15,17)
InChIKeyBSYDXAXPJVWAJK-UHFFFAOYSA-N
XLogP1.87
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

4-[2-(4-chlorophenyl)ethylamino]-N'-hydroxybutanimidamide
CID 77032070
3-(4-fluorophenyl)-N'-hydroxypropanimidamide
CID 140529999
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025166
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
CID 77029656
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532
4-[(2,5-difluorophenyl)methylamino]-N'-hydroxybutanimidamide
CID 77028287
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
N'-hydroxy-5-(thiophen-3-ylmethylamino)pentanimidamide
CID 77031240

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide (CID 77025804) is 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide is NC(CCCCNCCc1ccc(F)cc1)=NO.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is BSYDXAXPJVWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-12-6-4-11(5-7-12)8-10-16-9-2-1-3-13(15)17-18/h4-7,16,18H,1-3,8-10H2,(H2,15,17).
What are the key properties of 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 253.32 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77025804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).