N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide

C12H24N2O3 — CID 77063316

IUPACN'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide
SMILESCC(C)(CCCOC1CCOCC1)C(N)=NO
InChIInChI=1S/C12H24N2O3/c1-12(2,11(13)14-15)6-3-7-17-10-4-8-16-9-5-10/h10,15H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKNGCNIZCHQPHGB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.73
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide (PubChem CID 77063316) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide
PubChem CID77063316
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide
SMILESCC(C)(CCCOC1CCOCC1)C(N)=NO
InChIInChI=1S/C12H24N2O3/c1-12(2,11(13)14-15)6-3-7-17-10-4-8-16-9-5-10/h10,15H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKNGCNIZCHQPHGB-UHFFFAOYSA-N
XLogP1.73
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide (CID 77063316) is N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide is CC(C)(CCCOC1CCOCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
The InChIKey is KNGCNIZCHQPHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,11(13)14-15)6-3-7-17-10-4-8-16-9-5-10/h10,15H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(oxan-4-yloxy)pentanimidamide has a molecular weight of 244.33 g/mol, XLogP of 1.73, 6 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-5-(oxan-4-yloxy)pentanimidamide is sourced from PubChem (CID 77063316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).