2-[hydroxy(methyl)amino]ethanimidamide

C3H9N3O — CID 87382268

IUPAC2-[hydroxy(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)O
InChIInChI=1S/C3H9N3O/c1-6(7)2-3(4)5/h7H,2H2,1H3,(H3,4,5)
InChIKeyABUGXYHSSVQXPJ-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.76
Rot. Bonds2

About 2-[hydroxy(methyl)amino]ethanimidamide

2-[hydroxy(methyl)amino]ethanimidamide (PubChem CID 87382268) has the molecular formula C3H9N3O and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-[hydroxy(methyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[hydroxy(methyl)amino]ethanimidamide
PubChem CID87382268
Molecular FormulaC3H9N3O
Molecular Weight103.12 g/mol
Exact Mass103.07
IUPAC Name2-[hydroxy(methyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)O
InChIInChI=1S/C3H9N3O/c1-6(7)2-3(4)5/h7H,2H2,1H3,(H3,4,5)
InChIKeyABUGXYHSSVQXPJ-UHFFFAOYSA-N
XLogP-0.76
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)ethanimidamide
CID 3259588
2-[5-hydroxypentyl(methyl)amino]ethanimidamide
CID 107200220
2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanimidamide
CID 79387470
2-[2-methoxyethyl(methyl)amino]ethanimidamide
CID 61427043
3-(dimethylamino)propanimidamide;dihydrochloride
CID 47002520
3-N,3-N-dimethylpropanediimidamide
CID 58160656
2-[bis(2-hydroxyethyl)amino]ethanimidamide
CID 61236367
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-methylbutanimidamide;hydrochloride
CID 18967932
methanamine;propanimidamide
CID 158653796
tert-butyl N-(2-amino-2-iminoethyl)-N-methylcarbamate;hydrochloride
CID 126812317
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethanimidamide
CID 79387290

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(methyl)amino]ethanimidamide?
The IUPAC name of 2-[hydroxy(methyl)amino]ethanimidamide (CID 87382268) is 2-[hydroxy(methyl)amino]ethanimidamide.
What is the SMILES notation for 2-[hydroxy(methyl)amino]ethanimidamide?
The canonical SMILES for 2-[hydroxy(methyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)O.
What is the InChIKey of 2-[hydroxy(methyl)amino]ethanimidamide?
The InChIKey is ABUGXYHSSVQXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O/c1-6(7)2-3(4)5/h7H,2H2,1H3,(H3,4,5).
What are the key properties of 2-[hydroxy(methyl)amino]ethanimidamide?
2-[hydroxy(methyl)amino]ethanimidamide has a molecular weight of 103.12 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(methyl)amino]ethanimidamide is sourced from PubChem (CID 87382268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).