6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

C14H24BrN3OS — CID 106034246

IUPAC6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCCc1ccc(Br)s1)/C(N)=N/O
InChIInChI=1S/C14H24BrN3OS/c1-14(2,13(16)18-19)8-3-4-9-17-10-7-11-5-6-12(15)20-11/h5-6,17,19H,3-4,7-10H2,1-2H3,(H2,16,18)
InChIKeyVLVPSYSFPLQOAI-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.59
Rot. Bonds9

About 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106034246) has the molecular formula C14H24BrN3OS and a molecular weight of 362.34 g/mol. Its IUPAC name is 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106034246
Molecular FormulaC14H24BrN3OS
Molecular Weight362.34 g/mol
Exact Mass361.08
IUPAC Name6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCCc1ccc(Br)s1)/C(N)=N/O
InChIInChI=1S/C14H24BrN3OS/c1-14(2,13(16)18-19)8-3-4-9-17-10-7-11-5-6-12(15)20-11/h5-6,17,19H,3-4,7-10H2,1-2H3,(H2,16,18)
InChIKeyVLVPSYSFPLQOAI-UHFFFAOYSA-N
XLogP3.59
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-[2-(5-bromothiophen-2-yl)ethyl]propane-1,3-diamine
CID 106042832
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
N-[2-(5-bromothiophen-2-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 114140447
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 106034260

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106034246) is 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCNCCc1ccc(Br)s1)/C(N)=N/O.
What is the InChIKey of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is VLVPSYSFPLQOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3OS/c1-14(2,13(16)18-19)8-3-4-9-17-10-7-11-5-6-12(15)20-11/h5-6,17,19H,3-4,7-10H2,1-2H3,(H2,16,18).
What are the key properties of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 362.34 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106034246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).