6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

C16H27N3O — CID 106711028

IUPAC6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCc1ccccc1NCCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C16H27N3O/c1-4-13-9-5-6-10-14(13)18-12-8-7-11-16(2,3)15(17)19-20/h5-6,9-10,18,20H,4,7-8,11-12H2,1-3H3,(H2,17,19)
InChIKeyZRWSZAIWKHGWEG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.60
Rot. Bonds8

About 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711028) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711028
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCCc1ccccc1NCCCCC(C)(C)/C(N)=N/O
InChIInChI=1S/C16H27N3O/c1-4-13-9-5-6-10-14(13)18-12-8-7-11-16(2,3)15(17)19-20/h5-6,9-10,18,20H,4,7-8,11-12H2,1-3H3,(H2,17,19)
InChIKeyZRWSZAIWKHGWEG-UHFFFAOYSA-N
XLogP3.60
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.60
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

5-[2-(dimethylamino)anilino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 106760070
4-(2-tert-butylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062527
N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
CID 106711134
6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711517
6-(2-ethylanilino)-2,2-dimethylhexanenitrile
CID 106709014
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
CID 106710965
4-(3-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062335
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
4-[[2-(ethoxymethyl)phenyl]methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062012
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711028) is 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is CCc1ccccc1NCCCCC(C)(C)/C(N)=N/O.
What is the InChIKey of 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is ZRWSZAIWKHGWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13-9-5-6-10-14(13)18-12-8-7-11-16(2,3)15(17)19-20/h5-6,9-10,18,20H,4,7-8,11-12H2,1-3H3,(H2,17,19).
What are the key properties of 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 277.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).