1-(1-hydroxyethyl)-1-methylguanidine

C4H11N3O — CID 21449246

IUPAC1-(1-hydroxyethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C(C)O
InChIInChI=1S/C4H11N3O/c1-3(8)7(2)4(5)6/h3,8H,1-2H3,(H3,5,6)
InChIKeyZSKGNBKAJOBYJJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.85
Rot. Bonds1

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

1-(1-hydroxyethyl)-1-methylguanidine (PubChem CID 21449246) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(1-hydroxyethyl)-1-methylguanidine
PubChem CID21449246
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name1-(1-hydroxyethyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)C(C)O
InChIInChI=1S/C4H11N3O/c1-3(8)7(2)4(5)6/h3,8H,1-2H3,(H3,5,6)
InChIKeyZSKGNBKAJOBYJJ-UHFFFAOYSA-N
XLogP-0.85
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-(1-hydroxyethyl)-1-methylguanidine?
The IUPAC name of 1-(1-hydroxyethyl)-1-methylguanidine (CID 21449246) is 1-(1-hydroxyethyl)-1-methylguanidine.
What is the SMILES notation for 1-(1-hydroxyethyl)-1-methylguanidine?
The canonical SMILES for 1-(1-hydroxyethyl)-1-methylguanidine is [H]/N=C(\N)N(C)C(C)O.
What is the InChIKey of 1-(1-hydroxyethyl)-1-methylguanidine?
The InChIKey is ZSKGNBKAJOBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-3(8)7(2)4(5)6/h3,8H,1-2H3,(H3,5,6).
What are the key properties of 1-(1-hydroxyethyl)-1-methylguanidine?
1-(1-hydroxyethyl)-1-methylguanidine has a molecular weight of 117.15 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)-1-methylguanidine is sourced from PubChem (CID 21449246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).