N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide

C8H17N3O3 — CID 104762101

IUPACN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide
SMILESCOC1(CNCC(N)=NO)CCOC1
InChIInChI=1S/C8H17N3O3/c1-13-8(2-3-14-6-8)5-10-4-7(9)11-12/h10,12H,2-6H2,1H3,(H2,9,11)
InChIKeyNCEJEPCRPJFXMJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.87
Rot. Bonds5

About N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide

N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide (PubChem CID 104762101) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide
PubChem CID104762101
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide
SMILESCOC1(CNCC(N)=NO)CCOC1
InChIInChI=1S/C8H17N3O3/c1-13-8(2-3-14-6-8)5-10-4-7(9)11-12/h10,12H,2-6H2,1H3,(H2,9,11)
InChIKeyNCEJEPCRPJFXMJ-UHFFFAOYSA-N
XLogP-0.87
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 103370159
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762084
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 104762093
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]pentanimidamide
CID 104762095
N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 104762096
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762098
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762099
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762100
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762103
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]propanimidamide
CID 106101826

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide (CID 104762101) is N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide is COC1(CNCC(N)=NO)CCOC1.
What is the InChIKey of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide?
The InChIKey is NCEJEPCRPJFXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-13-8(2-3-14-6-8)5-10-4-7(9)11-12/h10,12H,2-6H2,1H3,(H2,9,11).
What are the key properties of N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide?
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide has a molecular weight of 203.24 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide is sourced from PubChem (CID 104762101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).