N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide

C5H13N3O2 — CID 60702231

IUPACN'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide
SMILESCN(CCO)C/C(N)=N/O
InChIInChI=1S/C5H13N3O2/c1-8(2-3-9)4-5(6)7-10/h9-10H,2-4H2,1H3,(H2,6,7)
InChIKeyZLYXZIJOMSTMMF-UHFFFAOYSA-N
MW147.18 g/mol
LogP-1.34
Rot. Bonds4

About N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide

N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide (PubChem CID 60702231) has the molecular formula C5H13N3O2 and a molecular weight of 147.18 g/mol. Its IUPAC name is N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide
PubChem CID60702231
Molecular FormulaC5H13N3O2
Molecular Weight147.18 g/mol
Exact Mass147.10
IUPAC NameN'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide
SMILESCN(CCO)C/C(N)=N/O
InChIInChI=1S/C5H13N3O2/c1-8(2-3-9)4-5(6)7-10/h9-10H,2-4H2,1H3,(H2,6,7)
InChIKeyZLYXZIJOMSTMMF-UHFFFAOYSA-N
XLogP-1.34
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-1.34
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-[2-hydroxyethyl(methyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide (CID 60702231) is N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide is CN(CCO)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide?
The InChIKey is ZLYXZIJOMSTMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O2/c1-8(2-3-9)4-5(6)7-10/h9-10H,2-4H2,1H3,(H2,6,7).
What are the key properties of N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide?
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide has a molecular weight of 147.18 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]ethanimidamide is sourced from PubChem (CID 60702231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).