5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

C16H27N3O — CID 77063542

IUPAC5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCN(CCCC(C)(C)C(N)=NO)c1ccc(C)cc1
InChIInChI=1S/C16H27N3O/c1-5-19(14-9-7-13(2)8-10-14)12-6-11-16(3,4)15(17)18-20/h7-10,20H,5-6,11-12H2,1-4H3,(H2,17,18)
InChIKeyNAQFFWGFLCFOCZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.37
Rot. Bonds7

About 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063542) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063542
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCN(CCCC(C)(C)C(N)=NO)c1ccc(C)cc1
InChIInChI=1S/C16H27N3O/c1-5-19(14-9-7-13(2)8-10-14)12-6-11-16(3,4)15(17)18-20/h7-10,20H,5-6,11-12H2,1-4H3,(H2,17,18)
InChIKeyNAQFFWGFLCFOCZ-UHFFFAOYSA-N
XLogP3.37
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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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Frequently Asked Questions

What is the IUPAC name of 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063542) is 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is CCN(CCCC(C)(C)C(N)=NO)c1ccc(C)cc1.
What is the InChIKey of 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is NAQFFWGFLCFOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19(14-9-7-13(2)8-10-14)12-6-11-16(3,4)15(17)18-20/h7-10,20H,5-6,11-12H2,1-4H3,(H2,17,18).
What are the key properties of 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 277.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).