5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

C14H22FN3O — CID 77064047

IUPAC5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCc1cccc(F)c1)C(N)=NO
InChIInChI=1S/C14H22FN3O/c1-14(2,13(16)18-19)7-4-8-17-10-11-5-3-6-12(15)9-11/h3,5-6,9,17,19H,4,7-8,10H2,1-2H3,(H2,16,18)
InChIKeyLJOSJYJDSZHVQT-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.47
Rot. Bonds7

About 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77064047) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77064047
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCNCc1cccc(F)c1)C(N)=NO
InChIInChI=1S/C14H22FN3O/c1-14(2,13(16)18-19)7-4-8-17-10-11-5-3-6-12(15)9-11/h3,5-6,9,17,19H,4,7-8,10H2,1-2H3,(H2,16,18)
InChIKeyLJOSJYJDSZHVQT-UHFFFAOYSA-N
XLogP2.47
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.47
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

6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
N'-hydroxy-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
CID 106711101
6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710715
N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
CID 77063966
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
3-[(3-fluorophenyl)methylamino]-N'-hydroxypropanimidamide
CID 77029790
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
CID 107853324
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
CID 77062247
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063622
2-[(R)-tert-butylsulfinyl]-N-[(3-fluorophenyl)methyl]ethanamine
CID 95770869

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77064047) is 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is CC(C)(CCCNCc1cccc(F)c1)C(N)=NO.
What is the InChIKey of 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is LJOSJYJDSZHVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-14(2,13(16)18-19)7-4-8-17-10-11-5-3-6-12(15)9-11/h3,5-6,9,17,19H,4,7-8,10H2,1-2H3,(H2,16,18).
What are the key properties of 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 267.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77064047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).