3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide

C13H20FN3O — CID 77032783

IUPAC3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)c1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-3-12(8-13(15)17-18)16-9(2)10-5-4-6-11(14)7-10/h4-7,9,12,16,18H,3,8H2,1-2H3,(H2,15,17)
InChIKeyRTGKTZWHKQFHHL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.39
Rot. Bonds6

About 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide

3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77032783) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77032783
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)c1cccc(F)c1
InChIInChI=1S/C13H20FN3O/c1-3-12(8-13(15)17-18)16-9(2)10-5-4-6-11(14)7-10/h4-7,9,12,16,18H,3,8H2,1-2H3,(H2,15,17)
InChIKeyRTGKTZWHKQFHHL-UHFFFAOYSA-N
XLogP2.39
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]pentanimidamide
CID 81373743
N-[3-[1-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]phenyl]acetamide
CID 77028727
N-[1-(3-fluorophenyl)ethyl]-5-methylheptan-3-amine
CID 43094653
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxypropanimidamide
CID 81366931
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-N'-hydroxybutanimidamide
CID 81365911
2-[1-(3-fluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 61247130
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
4-[1-[1-(3-fluorophenyl)ethylamino]propyl]phenol
CID 43205938
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide (CID 77032783) is 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC(C)c1cccc(F)c1.
What is the InChIKey of 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is RTGKTZWHKQFHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-12(8-13(15)17-18)16-9(2)10-5-4-6-11(14)7-10/h4-7,9,12,16,18H,3,8H2,1-2H3,(H2,15,17).
What are the key properties of 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide?
3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 253.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)ethylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77032783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).