N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide

C13H26N2O3 — CID 106711830

IUPACN'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
SMILESCC(C)(CCCCOC1CCOCC1)C(N)=NO
InChIInChI=1S/C13H26N2O3/c1-13(2,12(14)15-16)7-3-4-8-18-11-5-9-17-10-6-11/h11,16H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMOOKSIWKKIDTLY-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.12
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide (PubChem CID 106711830) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
PubChem CID106711830
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
SMILESCC(C)(CCCCOC1CCOCC1)C(N)=NO
InChIInChI=1S/C13H26N2O3/c1-13(2,12(14)15-16)7-3-4-8-18-11-5-9-17-10-6-11/h11,16H,3-10H2,1-2H3,(H2,14,15)
InChIKeyMOOKSIWKKIDTLY-UHFFFAOYSA-N
XLogP2.12
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-6-(1,1,1-trifluoropropan-2-yloxy)hexanimidamide
CID 106711867
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711892
2,2-Dimethyl-5-(oxan-4-yloxy)pentanimidamide
CID 65258609
4-cyclohexyloxy-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062702
N'-hydroxy-2,2-dimethyl-4-(oxan-2-ylmethoxy)butanimidamide
CID 77062726
N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide
CID 77062732
N'-hydroxy-5-(3-methoxycyclohexyl)oxy-2,2-dimethylpentanimidamide
CID 77063111
5-hexoxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063293
N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 77063311
N'-hydroxy-2,2-dimethyl-5-(3-methylcyclohexyl)oxypentanimidamide
CID 77063314
N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide
CID 77063316
5-butan-2-yloxy-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063336

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide (CID 106711830) is N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide is CC(C)(CCCCOC1CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide?
The InChIKey is MOOKSIWKKIDTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,12(14)15-16)7-3-4-8-18-11-5-9-17-10-6-11/h11,16H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide has a molecular weight of 258.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide is sourced from PubChem (CID 106711830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).