N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide

C9H18N2O3 — CID 24693435

IUPACN'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide
SMILESN/C(CCCOCC1CCCO1)=N\O
InChIInChI=1S/C9H18N2O3/c10-9(11-12)4-2-5-13-7-8-3-1-6-14-8/h8,12H,1-7H2,(H2,10,11)
InChIKeyDEHWASCQYLWWGC-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.71
Rot. Bonds6

About N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide

N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide (PubChem CID 24693435) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide
PubChem CID24693435
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide
SMILESN/C(CCCOCC1CCCO1)=N\O
InChIInChI=1S/C9H18N2O3/c10-9(11-12)4-2-5-13-7-8-3-1-6-14-8/h8,12H,1-7H2,(H2,10,11)
InChIKeyDEHWASCQYLWWGC-UHFFFAOYSA-N
XLogP0.71
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.71
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-4-(oxolan-2-ylmethoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide (CID 24693435) is N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide is N/C(CCCOCC1CCCO1)=N\O.
What is the InChIKey of N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide?
The InChIKey is DEHWASCQYLWWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-9(11-12)4-2-5-13-7-8-3-1-6-14-8/h8,12H,1-7H2,(H2,10,11).
What are the key properties of N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide?
N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide has a molecular weight of 202.25 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(oxolan-2-ylmethoxy)butanimidamide is sourced from PubChem (CID 24693435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).