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

C8H17N3O2 — CID 104876942

IUPACN'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide
SMILESCC(NCC(N)=NO)C1CCOC1
InChIInChI=1S/C8H17N3O2/c1-6(7-2-3-13-5-7)10-4-8(9)11-12/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyXFIKRSBSKSIDEF-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.25
Rot. Bonds4

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

N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide (PubChem CID 104876942) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide
PubChem CID104876942
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide
SMILESCC(NCC(N)=NO)C1CCOC1
InChIInChI=1S/C8H17N3O2/c1-6(7-2-3-13-5-7)10-4-8(9)11-12/h6-7,10,12H,2-5H2,1H3,(H2,9,11)
InChIKeyXFIKRSBSKSIDEF-UHFFFAOYSA-N
XLogP-0.25
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.25
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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Related Compounds

2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
CID 77029717
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603
N-ethyl-2-[1-(oxolan-3-yl)ethylamino]acetamide
CID 115707073
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115714222
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 104876980
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883
N'-hydroxy-2-[oxolan-3-yl(propan-2-yl)amino]ethanimidamide
CID 77038029
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
2-amino-N-[1-(oxolan-3-yl)ethyl]acetamide
CID 115734721

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide (CID 104876942) is N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide is CC(NCC(N)=NO)C1CCOC1.
What is the InChIKey of N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide?
The InChIKey is XFIKRSBSKSIDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(7-2-3-13-5-7)10-4-8(9)11-12/h6-7,10,12H,2-5H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide?
N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.25, 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-3-yl)ethylamino]ethanimidamide is sourced from PubChem (CID 104876942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).