6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

C14H30N2O2 — CID 106711866

IUPAC6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(C)CCOCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H30N2O2/c1-13(2,3)9-11-18-10-7-6-8-14(4,5)12(15)16-17/h17H,6-11H2,1-5H3,(H2,15,16)
InChIKeyLLRLIYGPQYBYCJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.38
Rot. Bonds8

About 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106711866) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106711866
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(C)CCOCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H30N2O2/c1-13(2,3)9-11-18-10-7-6-8-14(4,5)12(15)16-17/h17H,6-11H2,1-5H3,(H2,15,16)
InChIKeyLLRLIYGPQYBYCJ-UHFFFAOYSA-N
XLogP3.38
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
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-2,2-dimethyl-5-propoxypentanimidamide
CID 77063203
N'-hydroxy-4-(3-methoxypropoxy)-2,2-dimethylbutanimidamide
CID 77062623
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]-2,2-dimethylpentanimidamide
CID 104562250
N'-hydroxy-5-(2-methoxyethoxy)-2,2-dimethylpentanimidamide
CID 77063432
N'-hydroxy-6-[4-(2-methoxyethoxy)butylamino]-2,2-dimethylhexanimidamide
CID 106711583
N'-hydroxy-2,2-dimethyl-4-propoxybutanimidamide
CID 77062773
6-(3,3-dimethylbutylamino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711627
N'-hydroxy-6-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylhexanimidamide
CID 106711229
N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
CID 106711830
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063177
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106711866) is 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(C)CCOCCCCC(C)(C)C(N)=NO.
What is the InChIKey of 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is LLRLIYGPQYBYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-13(2,3)9-11-18-10-7-6-8-14(4,5)12(15)16-17/h17H,6-11H2,1-5H3,(H2,15,16).
What are the key properties of 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 258.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106711866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).