6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

C15H24ClN3O — CID 106711118

IUPAC6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCc1cccc(Cl)c1)/C(N)=N/O
InChIInChI=1S/C15H24ClN3O/c1-15(2,14(17)19-20)8-3-4-9-18-11-12-6-5-7-13(16)10-12/h5-7,10,18,20H,3-4,8-9,11H2,1-2H3,(H2,17,19)
InChIKeyUCLGBUPTCJPDIC-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.37
Rot. Bonds8

About 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711118) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711118
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCNCc1cccc(Cl)c1)/C(N)=N/O
InChIInChI=1S/C15H24ClN3O/c1-15(2,14(17)19-20)8-3-4-9-18-11-12-6-5-7-13(16)10-12/h5-7,10,18,20H,3-4,8-9,11H2,1-2H3,(H2,17,19)
InChIKeyUCLGBUPTCJPDIC-UHFFFAOYSA-N
XLogP3.37
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.37
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-6-[(3-methoxyphenyl)methylamino]-2,2-dimethylhexanimidamide
CID 106711101
5-[(3-fluorophenyl)methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064047
5-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77030098
5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063573
N'-hydroxy-2,2-dimethyl-6-[(6-methyl-2-pyridinyl)methylamino]hexanimidamide
CID 106711107
N'-hydroxy-2,2-dimethyl-5-(pyridin-4-ylmethylamino)pentanimidamide
CID 77063966
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
5-(3-ethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063928
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]butanimidamide
CID 77062247
4-(5-chloro-2-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061908

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711118) is 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCNCc1cccc(Cl)c1)/C(N)=N/O.
What is the InChIKey of 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is UCLGBUPTCJPDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,14(17)19-20)8-3-4-9-18-11-12-6-5-7-13(16)10-12/h5-7,10,18,20H,3-4,8-9,11H2,1-2H3,(H2,17,19).
What are the key properties of 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 297.83 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).