N'-hydroxy-4-(2-methoxyethoxy)butanimidamide

C7H16N2O3 — CID 24701071

IUPACN'-hydroxy-4-(2-methoxyethoxy)butanimidamide
SMILESCOCCOCCC/C(N)=N/O
InChIInChI=1S/C7H16N2O3/c1-11-5-6-12-4-2-3-7(8)9-10/h10H,2-6H2,1H3,(H2,8,9)
InChIKeyYHRXUNULZJPMCM-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.18
Rot. Bonds7

About N'-hydroxy-4-(2-methoxyethoxy)butanimidamide

N'-hydroxy-4-(2-methoxyethoxy)butanimidamide (PubChem CID 24701071) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methoxyethoxy)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methoxyethoxy)butanimidamide
PubChem CID24701071
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC NameN'-hydroxy-4-(2-methoxyethoxy)butanimidamide
SMILESCOCCOCCC/C(N)=N/O
InChIInChI=1S/C7H16N2O3/c1-11-5-6-12-4-2-3-7(8)9-10/h10H,2-6H2,1H3,(H2,8,9)
InChIKeyYHRXUNULZJPMCM-UHFFFAOYSA-N
XLogP0.18
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.18
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-(2-methoxyethoxy)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-methoxyethoxy)butanimidamide (CID 24701071) is N'-hydroxy-4-(2-methoxyethoxy)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methoxyethoxy)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-methoxyethoxy)butanimidamide is COCCOCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(2-methoxyethoxy)butanimidamide?
The InChIKey is YHRXUNULZJPMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-11-5-6-12-4-2-3-7(8)9-10/h10H,2-6H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-4-(2-methoxyethoxy)butanimidamide?
N'-hydroxy-4-(2-methoxyethoxy)butanimidamide has a molecular weight of 176.22 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methoxyethoxy)butanimidamide is sourced from PubChem (CID 24701071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).