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

C11H22N2O3 — CID 77062732

IUPACN'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide
SMILESCC(C)(CCOC1CCOCC1)C(N)=NO
InChIInChI=1S/C11H22N2O3/c1-11(2,10(12)13-14)5-8-16-9-3-6-15-7-4-9/h9,14H,3-8H2,1-2H3,(H2,12,13)
InChIKeyFJHZLDOXZQLZJD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.34
Rot. Bonds5

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

N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide (PubChem CID 77062732) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide
PubChem CID77062732
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide
SMILESCC(C)(CCOC1CCOCC1)C(N)=NO
InChIInChI=1S/C11H22N2O3/c1-11(2,10(12)13-14)5-8-16-9-3-6-15-7-4-9/h9,14H,3-8H2,1-2H3,(H2,12,13)
InChIKeyFJHZLDOXZQLZJD-UHFFFAOYSA-N
XLogP1.34
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide (CID 77062732) is N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide is CC(C)(CCOC1CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide?
The InChIKey is FJHZLDOXZQLZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,10(12)13-14)5-8-16-9-3-6-15-7-4-9/h9,14H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(oxan-4-yloxy)butanimidamide has a molecular weight of 230.31 g/mol, XLogP of 1.34, 5 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-4-(oxan-4-yloxy)butanimidamide is sourced from PubChem (CID 77062732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).