N'-hydroxy-4-propan-2-yloxybutanimidamide

C7H16N2O2 — CID 24692714

IUPACN'-hydroxy-4-propan-2-yloxybutanimidamide
SMILESCC(C)OCCC/C(N)=N/O
InChIInChI=1S/C7H16N2O2/c1-6(2)11-5-3-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyPQBODSKIEFFVBC-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.94
Rot. Bonds5

About N'-hydroxy-4-propan-2-yloxybutanimidamide

N'-hydroxy-4-propan-2-yloxybutanimidamide (PubChem CID 24692714) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N'-hydroxy-4-propan-2-yloxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-propan-2-yloxybutanimidamide
PubChem CID24692714
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN'-hydroxy-4-propan-2-yloxybutanimidamide
SMILESCC(C)OCCC/C(N)=N/O
InChIInChI=1S/C7H16N2O2/c1-6(2)11-5-3-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)
InChIKeyPQBODSKIEFFVBC-UHFFFAOYSA-N
XLogP0.94
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propan-2-yloxybutanimidamide?
The IUPAC name of N'-hydroxy-4-propan-2-yloxybutanimidamide (CID 24692714) is N'-hydroxy-4-propan-2-yloxybutanimidamide.
What is the SMILES notation for N'-hydroxy-4-propan-2-yloxybutanimidamide?
The canonical SMILES for N'-hydroxy-4-propan-2-yloxybutanimidamide is CC(C)OCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-propan-2-yloxybutanimidamide?
The InChIKey is PQBODSKIEFFVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-6(2)11-5-3-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-4-propan-2-yloxybutanimidamide?
N'-hydroxy-4-propan-2-yloxybutanimidamide has a molecular weight of 160.22 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-propan-2-yloxybutanimidamide is sourced from PubChem (CID 24692714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).