5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H22FN3O — CID 77063622

IUPAC5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)c1cccc(F)c1
InChIInChI=1S/C14H22FN3O/c1-14(2,13(16)17-19)8-5-9-18(3)12-7-4-6-11(15)10-12/h4,6-7,10,19H,5,8-9H2,1-3H3,(H2,16,17)
InChIKeyBBSZLRMHYQTQHA-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.81
Rot. Bonds6

About 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063622) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063622
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)c1cccc(F)c1
InChIInChI=1S/C14H22FN3O/c1-14(2,13(16)17-19)8-5-9-18(3)12-7-4-6-11(15)10-12/h4,6-7,10,19H,5,8-9H2,1-3H3,(H2,16,17)
InChIKeyBBSZLRMHYQTQHA-UHFFFAOYSA-N
XLogP2.81
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.81
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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Related Compounds

N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
6-[(3-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710715
5-(N,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063581
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
5-(N-ethyl-3-fluoroanilino)-2,2-dimethylpentanethioamide
CID 65259841
6-(3-fluoro-N-methylanilino)-2,2-dimethylhexanenitrile
CID 106709977
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
CID 106806123
6-(N-ethyl-4-fluoroanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710866
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063344

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063622) is 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is CN(CCCC(C)(C)C(N)=NO)c1cccc(F)c1.
What is the InChIKey of 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is BBSZLRMHYQTQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-14(2,13(16)17-19)8-5-9-18(3)12-7-4-6-11(15)10-12/h4,6-7,10,19H,5,8-9H2,1-3H3,(H2,16,17).
What are the key properties of 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 267.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-N-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).