N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide

C8H17N3O3 — CID 81130733

IUPACN'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide
SMILESNC(CNCC1(O)CCOCC1)=NO
InChIInChI=1S/C8H17N3O3/c9-7(11-13)5-10-6-8(12)1-3-14-4-2-8/h10,12-13H,1-6H2,(H2,9,11)
InChIKeyHZNKXASSTOKESG-UHFFFAOYSA-N
MW203.24 g/mol
LogP-1.14
Rot. Bonds4

About N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide

N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide (PubChem CID 81130733) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide
PubChem CID81130733
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC NameN'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide
SMILESNC(CNCC1(O)CCOCC1)=NO
InChIInChI=1S/C8H17N3O3/c9-7(11-13)5-10-6-8(12)1-3-14-4-2-8/h10,12-13H,1-6H2,(H2,9,11)
InChIKeyHZNKXASSTOKESG-UHFFFAOYSA-N
XLogP-1.14
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide (CID 81130733) is N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide is NC(CNCC1(O)CCOCC1)=NO.
What is the InChIKey of N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide?
The InChIKey is HZNKXASSTOKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c9-7(11-13)5-10-6-8(12)1-3-14-4-2-8/h10,12-13H,1-6H2,(H2,9,11).
What are the key properties of N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide?
N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide has a molecular weight of 203.24 g/mol, XLogP of -1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-hydroxyoxan-4-yl)methylamino]ethanimidamide is sourced from PubChem (CID 81130733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).