5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

C15H24ClN3O — CID 77063573

IUPAC5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-15(2,14(17)18-20)8-5-9-19(3)11-12-6-4-7-13(16)10-12/h4,6-7,10,20H,5,8-9,11H2,1-3H3,(H2,17,18)
InChIKeyHKZOFLOCYKNVOC-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.32
Rot. Bonds7

About 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063573) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063573
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(CCCC(C)(C)C(N)=NO)Cc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-15(2,14(17)18-20)8-5-9-19(3)11-12-6-4-7-13(16)10-12/h4,6-7,10,20H,5,8-9,11H2,1-3H3,(H2,17,18)
InChIKeyHKZOFLOCYKNVOC-UHFFFAOYSA-N
XLogP3.32
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-fluorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710715
6-[(3-chlorophenyl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711118
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254
6-[(3-chlorophenyl)methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106709872
6-chloro-N-[(3-chlorophenyl)methyl]-N-methylhexan-1-amine
CID 55192519
3-[[(3-chlorophenyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 76903702
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888
N'-hydroxy-2,2-dimethyl-5-(N-methylanilino)pentanimidamide
CID 77063059
5-(dimethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063094
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
hydrazinyl 3-[(3-chlorophenyl)methyl-methylamino]propanoate
CID 66337674
N'-hydroxy-2,2-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 77063985

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063573) is 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is CN(CCCC(C)(C)C(N)=NO)Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is HKZOFLOCYKNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-15(2,14(17)18-20)8-5-9-19(3)11-12-6-4-7-13(16)10-12/h4,6-7,10,20H,5,8-9,11H2,1-3H3,(H2,17,18).
What are the key properties of 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 297.83 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).