5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H25N3O — CID 77063928

IUPAC5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCc1cccc(NCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C15H25N3O/c1-4-12-7-5-8-13(11-12)17-10-6-9-15(2,3)14(16)18-19/h5,7-8,11,17,19H,4,6,9-10H2,1-3H3,(H2,16,18)
InChIKeyBJPNLCOKCPPPIX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.21
Rot. Bonds7

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

5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063928) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063928
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCc1cccc(NCCCC(C)(C)C(N)=NO)c1
InChIInChI=1S/C15H25N3O/c1-4-12-7-5-8-13(11-12)17-10-6-9-15(2,3)14(16)18-19/h5,7-8,11,17,19H,4,6,9-10H2,1-3H3,(H2,16,18)
InChIKeyBJPNLCOKCPPPIX-UHFFFAOYSA-N
XLogP3.21
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.21
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

N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
N'-hydroxy-5-[2-(3-methoxyphenyl)ethylamino]-2,2-dimethylpentanimidamide
CID 107853324
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
N'-hydroxy-2,2-dimethyl-4-(3-propan-2-ylanilino)butanimidamide
CID 77061838
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
4-(3-ethylanilino)-2-methylbutan-2-ol
CID 79360431
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063928) is 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is CCc1cccc(NCCCC(C)(C)C(N)=NO)c1.
What is the InChIKey of 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is BJPNLCOKCPPPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12-7-5-8-13(11-12)17-10-6-9-15(2,3)14(16)18-19/h5,7-8,11,17,19H,4,6,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 263.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).