N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide

C16H34N2O2 — CID 106711793

IUPACN'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide
SMILESCCCCCCC(C)OCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H34N2O2/c1-5-6-7-8-11-14(2)20-13-10-9-12-16(3,4)15(17)18-19/h14,19H,5-13H2,1-4H3,(H2,17,18)
InChIKeyJIBALINQMXPRRO-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.30
Rot. Bonds12

About N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide

N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide (PubChem CID 106711793) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide
PubChem CID106711793
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC NameN'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide
SMILESCCCCCCC(C)OCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C16H34N2O2/c1-5-6-7-8-11-14(2)20-13-10-9-12-16(3,4)15(17)18-19/h14,19H,5-13H2,1-4H3,(H2,17,18)
InChIKeyJIBALINQMXPRRO-UHFFFAOYSA-N
XLogP4.30
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.30
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

5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336
N'-hydroxy-4-octan-2-yloxybutanimidamide
CID 43128354
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
N'-hydroxy-2,2-dimethyl-6-(4-propan-2-yloxybutylamino)hexanimidamide
CID 106011954
1-hexan-2-yloxydecane
CID 57029724
N'-hydroxy-2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 77063707
6-(3,3-dimethylbutoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711866
2-octan-2-yloxyethanamine
CID 43127313
6-octan-2-yloxyhexan-2-one
CID 43793687

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide (CID 106711793) is N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide is CCCCCCC(C)OCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide?
The InChIKey is JIBALINQMXPRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-5-6-7-8-11-14(2)20-13-10-9-12-16(3,4)15(17)18-19/h14,19H,5-13H2,1-4H3,(H2,17,18).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide?
N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide has a molecular weight of 286.46 g/mol, XLogP of 4.30, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-octan-2-yloxyhexanimidamide is sourced from PubChem (CID 106711793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).