5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide

C13H20FN3O — CID 54966073

IUPAC5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
SMILESCN(CCCCC(N)=NO)Cc1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-17(8-3-2-7-13(15)16-18)10-11-5-4-6-12(14)9-11/h4-6,9,18H,2-3,7-8,10H2,1H3,(H2,15,16)
InChIKeyWPSHCXHURPFHPP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.17
Rot. Bonds7

About 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide

5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide (PubChem CID 54966073) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
PubChem CID54966073
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide
SMILESCN(CCCCC(N)=NO)Cc1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-17(8-3-2-7-13(15)16-18)10-11-5-4-6-12(14)9-11/h4-6,9,18H,2-3,7-8,10H2,1H3,(H2,15,16)
InChIKeyWPSHCXHURPFHPP-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
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-[(3-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61416205
6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710715
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
N'-hydroxy-5-[methyl(pyridin-2-ylmethyl)amino]pentanimidamide
CID 94230138
4-[(4-bromophenyl)methyl-methylamino]-N'-hydroxybutanimidamide
CID 61415732
N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106707877
3-[(3,4-dimethylphenyl)methyl-methylamino]-N'-hydroxypropanimidamide
CID 54977733
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
CID 61420527
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790
N'-hydroxy-5-[methyl(1,3-thiazol-4-ylmethyl)amino]pentanimidamide
CID 76912814
N-(3-amino-3-sulfanylidenepropyl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 43290526

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide (CID 54966073) is 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide is CN(CCCCC(N)=NO)Cc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide?
The InChIKey is WPSHCXHURPFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-17(8-3-2-7-13(15)16-18)10-11-5-4-6-12(14)9-11/h4-6,9,18H,2-3,7-8,10H2,1H3,(H2,15,16).
What are the key properties of 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide?
5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide has a molecular weight of 253.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 54966073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).