6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

C15H24BrN3O — CID 106711517

IUPAC6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCc1ccc(Br)c(NCCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C15H24BrN3O/c1-11-6-7-12(16)13(10-11)18-9-5-4-8-15(2,3)14(17)19-20/h6-7,10,18,20H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyVRGDKGCERCBXMQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.11
Rot. Bonds7

About 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711517) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711517
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCc1ccc(Br)c(NCCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C15H24BrN3O/c1-11-6-7-12(16)13(10-11)18-9-5-4-8-15(2,3)14(17)19-20/h6-7,10,18,20H,4-5,8-9H2,1-3H3,(H2,17,19)
InChIKeyVRGDKGCERCBXMQ-UHFFFAOYSA-N
XLogP4.11
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.11
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

4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
5-(2-chloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064045
N'-hydroxy-5-(2-methoxy-5-methylanilino)-2,2-dimethylpentanimidamide
CID 77063802
4-(4-bromo-3-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062127
N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
CID 106711134
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
5-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711028
N'-hydroxy-2,2-dimethyl-6-[1-(4-methylphenyl)ethylamino]hexanimidamide
CID 106711270
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
CID 106711462

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711517) is 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is Cc1ccc(Br)c(NCCCCC(C)(C)/C(N)=N/O)c1.
What is the InChIKey of 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is VRGDKGCERCBXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-11-6-7-12(16)13(10-11)18-9-5-4-8-15(2,3)14(17)19-20/h6-7,10,18,20H,4-5,8-9H2,1-3H3,(H2,17,19).
What are the key properties of 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 342.28 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).