N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide

C9H19N3O2 — CID 77030258

IUPACN'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide
SMILESCC(NCCC(N)=NO)C1CCCO1
InChIInChI=1S/C9H19N3O2/c1-7(8-3-2-6-14-8)11-5-4-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyUNPYQMCXHYGZIN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.28
Rot. Bonds5

About N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide

N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide (PubChem CID 77030258) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide
PubChem CID77030258
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide
SMILESCC(NCCC(N)=NO)C1CCCO1
InChIInChI=1S/C9H19N3O2/c1-7(8-3-2-6-14-8)11-5-4-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyUNPYQMCXHYGZIN-UHFFFAOYSA-N
XLogP0.28
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide (CID 77030258) is N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide is CC(NCCC(N)=NO)C1CCCO1.
What is the InChIKey of N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide?
The InChIKey is UNPYQMCXHYGZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(8-3-2-6-14-8)11-5-4-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide?
N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[1-(oxolan-2-yl)ethylamino]propanimidamide is sourced from PubChem (CID 77030258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).