N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide

C13H29N3O3 — CID 106711229

IUPACN'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
SMILESCOCCOCCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O3/c1-13(2,12(14)16-17)6-4-5-7-15-8-9-19-11-10-18-3/h15,17H,4-11H2,1-3H3,(H2,14,16)
InChIKeyXGASXXRHKNIPBM-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.18
Rot. Bonds12

About N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide (PubChem CID 106711229) has the molecular formula C13H29N3O3 and a molecular weight of 275.39 g/mol. Its IUPAC name is N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
PubChem CID106711229
Molecular FormulaC13H29N3O3
Molecular Weight275.39 g/mol
Exact Mass275.22
IUPAC NameN'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
SMILESCOCCOCCNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H29N3O3/c1-13(2,12(14)16-17)6-4-5-7-15-8-9-19-11-10-18-3/h15,17H,4-11H2,1-3H3,(H2,14,16)
InChIKeyXGASXXRHKNIPBM-UHFFFAOYSA-N
XLogP1.18
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
N'-hydroxy-2,2-dimethyl-6-(2-methylprop-2-enylamino)hexanimidamide
CID 106711655
5-[(4-amino-4-hydroxyimino-3,3-dimethylbutyl)amino]pentanamide
CID 114162300
4-[(5-amino-5-hydroxyimino-4,4-dimethylpentyl)amino]butanamide
CID 77063642
5-(butylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064126
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide (CID 106711229) is N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide is COCCOCCNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide?
The InChIKey is XGASXXRHKNIPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3/c1-13(2,12(14)16-17)6-4-5-7-15-8-9-19-11-10-18-3/h15,17H,4-11H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide has a molecular weight of 275.39 g/mol, XLogP of 1.18, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).