N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide

C9H18N2O3 — CID 114987791

IUPACN'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
SMILESCC(COC1CCOCC1)/C(N)=N/O
InChIInChI=1S/C9H18N2O3/c1-7(9(10)11-12)6-14-8-2-4-13-5-3-8/h7-8,12H,2-6H2,1H3,(H2,10,11)
InChIKeyUTPGMFVHAQIBKB-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.56
Rot. Bonds4

About N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide

N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide (PubChem CID 114987791) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
PubChem CID114987791
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide
SMILESCC(COC1CCOCC1)/C(N)=N/O
InChIInChI=1S/C9H18N2O3/c1-7(9(10)11-12)6-14-8-2-4-13-5-3-8/h7-8,12H,2-6H2,1H3,(H2,10,11)
InChIKeyUTPGMFVHAQIBKB-UHFFFAOYSA-N
XLogP0.56
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.56
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'}

Analyze N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide (CID 114987791) is N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide is CC(COC1CCOCC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide?
The InChIKey is UTPGMFVHAQIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(9(10)11-12)6-14-8-2-4-13-5-3-8/h7-8,12H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide?
N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide has a molecular weight of 202.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(oxan-4-yloxy)propanimidamide is sourced from PubChem (CID 114987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).