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

C9H19N3O2 — CID 77028180

IUPACN'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide
SMILESCC(NC(C)C1CCCO1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-6(8-4-3-5-14-8)11-7(2)9(10)12-13/h6-8,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyJRXXQORPFRTPLA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.28
Rot. Bonds4

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

N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide (PubChem CID 77028180) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide
PubChem CID77028180
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide
SMILESCC(NC(C)C1CCCO1)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-6(8-4-3-5-14-8)11-7(2)9(10)12-13/h6-8,11,13H,3-5H2,1-2H3,(H2,10,12)
InChIKeyJRXXQORPFRTPLA-UHFFFAOYSA-N
XLogP0.28
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-2-[1-(oxolan-2-yl)ethylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide (CID 77028180) is N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide is CC(NC(C)C1CCCO1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide?
The InChIKey is JRXXQORPFRTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-6(8-4-3-5-14-8)11-7(2)9(10)12-13/h6-8,11,13H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide?
N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-(oxolan-2-yl)ethylamino]propanimidamide is sourced from PubChem (CID 77028180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).