N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide

C9H21N3O — CID 106710924

IUPACN'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
SMILESCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-9(2,8(10)12-13)6-4-5-7-11-3/h11,13H,4-7H2,1-3H3,(H2,10,12)
InChIKeyJUPSYILYHLVLIO-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.15
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide (PubChem CID 106710924) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
PubChem CID106710924
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
SMILESCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C9H21N3O/c1-9(2,8(10)12-13)6-4-5-7-11-3/h11,13H,4-7H2,1-3H3,(H2,10,12)
InChIKeyJUPSYILYHLVLIO-UHFFFAOYSA-N
XLogP1.15
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.15
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

6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
5-(2,2-dimethylhydrazinyl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 83016411
N'-hydroxy-2,2-dimethyl-6-(2-methylsulfonylethylamino)hexanimidamide
CID 106710917
N'-hydroxy-6-[(5-hydroxy-4-methylpentyl)amino]-2,2-dimethylhexanimidamide
CID 106161745
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
3-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]butanamide
CID 106711622
N'-hydroxy-2,2-dimethyl-5-(2-methylbutan-2-ylamino)pentanimidamide
CID 77063628
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107164198
N'-hydroxy-2,2-dimethyl-6-(4-methylhexan-2-ylamino)hexanimidamide
CID 106711358

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide (CID 106710924) is N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide is CNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide?
The InChIKey is JUPSYILYHLVLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-9(2,8(10)12-13)6-4-5-7-11-3/h11,13H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide has a molecular weight of 187.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide is sourced from PubChem (CID 106710924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).