1-(2-hydroxyethyl)-1,2-dimethylguanidine

C5H13N3O — CID 55287328

IUPAC1-(2-hydroxyethyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCO
InChIInChI=1S/C5H13N3O/c1-7-5(6)8(2)3-4-9/h9H,3-4H2,1-2H3,(H2,6,7)
InChIKeyMPODHXRIXVYBBU-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.14
Rot. Bonds2

About 1-(2-hydroxyethyl)-1,2-dimethylguanidine

1-(2-hydroxyethyl)-1,2-dimethylguanidine (PubChem CID 55287328) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1,2-dimethylguanidine
PubChem CID55287328
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(2-hydroxyethyl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)CCO
InChIInChI=1S/C5H13N3O/c1-7-5(6)8(2)3-4-9/h9H,3-4H2,1-2H3,(H2,6,7)
InChIKeyMPODHXRIXVYBBU-UHFFFAOYSA-N
XLogP-1.14
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
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)-1,2-dimethylguanidine?
The IUPAC name of 1-(2-hydroxyethyl)-1,2-dimethylguanidine (CID 55287328) is 1-(2-hydroxyethyl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(2-hydroxyethyl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(2-hydroxyethyl)-1,2-dimethylguanidine is C/N=C(\N)N(C)CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-1,2-dimethylguanidine?
The InChIKey is MPODHXRIXVYBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-7-5(6)8(2)3-4-9/h9H,3-4H2,1-2H3,(H2,6,7).
What are the key properties of 1-(2-hydroxyethyl)-1,2-dimethylguanidine?
1-(2-hydroxyethyl)-1,2-dimethylguanidine has a molecular weight of 131.18 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1,2-dimethylguanidine is sourced from PubChem (CID 55287328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).