1-(2-hydroxyethyl)-2-methylguanidine

C4H11N3O — CID 533843

IUPAC1-(2-hydroxyethyl)-2-methylguanidine
SMILESC/N=C(\N)NCCO
InChIInChI=1S/C4H11N3O/c1-6-4(5)7-2-3-8/h8H,2-3H2,1H3,(H3,5,6,7)
InChIKeyUENIKOYTDINDDE-UHFFFAOYSA-N
MW117.15 g/mol
LogP-1.49
Rot. Bonds2

About 1-(2-hydroxyethyl)-2-methylguanidine

1-(2-hydroxyethyl)-2-methylguanidine (PubChem CID 533843) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2-methylguanidine
PubChem CID533843
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name1-(2-hydroxyethyl)-2-methylguanidine
SMILESC/N=C(\N)NCCO
InChIInChI=1S/C4H11N3O/c1-6-4(5)7-2-3-8/h8H,2-3H2,1H3,(H3,5,6,7)
InChIKeyUENIKOYTDINDDE-UHFFFAOYSA-N
XLogP-1.49
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2-methylguanidine?
The IUPAC name of 1-(2-hydroxyethyl)-2-methylguanidine (CID 533843) is 1-(2-hydroxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-(2-hydroxyethyl)-2-methylguanidine?
The canonical SMILES for 1-(2-hydroxyethyl)-2-methylguanidine is C/N=C(\N)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2-methylguanidine?
The InChIKey is UENIKOYTDINDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-6-4(5)7-2-3-8/h8H,2-3H2,1H3,(H3,5,6,7).
What are the key properties of 1-(2-hydroxyethyl)-2-methylguanidine?
1-(2-hydroxyethyl)-2-methylguanidine has a molecular weight of 117.15 g/mol, XLogP of -1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2-methylguanidine is sourced from PubChem (CID 533843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).