1-(2-hydroxyethyl)-2,3-dimethylguanidine

C5H13N3O — CID 22977239

IUPAC1-(2-hydroxyethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCO
InChIInChI=1S/C5H13N3O/c1-6-5(7-2)8-3-4-9/h9H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyVKSFBOJMWLJXCJ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.23
Rot. Bonds2

About 1-(2-hydroxyethyl)-2,3-dimethylguanidine

1-(2-hydroxyethyl)-2,3-dimethylguanidine (PubChem CID 22977239) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-2,3-dimethylguanidine
PubChem CID22977239
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Name1-(2-hydroxyethyl)-2,3-dimethylguanidine
SMILESC/N=C(\NC)NCCO
InChIInChI=1S/C5H13N3O/c1-6-5(7-2)8-3-4-9/h9H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyVKSFBOJMWLJXCJ-UHFFFAOYSA-N
XLogP-1.23
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.23
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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Related Compounds

1,2-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 102135691
N-[2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 110930444
5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide
CID 170258094
1,2-dimethyl-3-(2-methylpropyl)guanidine
CID 130768145
1-[4-(diethylamino)butyl]-2,3-dimethylguanidine
CID 110917279
3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
CID 110917952
1-(3-butoxypropyl)-2,3-dimethylguanidine
CID 110914191
1-[7-(dimethylamino)heptyl]-2,3-dimethylguanidine;hydroiodide
CID 110918889
1-(3,3-diethoxypropyl)-2,3-dimethylguanidine
CID 100673098
1-[3-[ethylsulfonyl(methyl)amino]propyl]-2,3-dimethylguanidine
CID 75462498
1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
CID 110927292
1,2-dimethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 110917693

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-2,3-dimethylguanidine?
The IUPAC name of 1-(2-hydroxyethyl)-2,3-dimethylguanidine (CID 22977239) is 1-(2-hydroxyethyl)-2,3-dimethylguanidine.
What is the SMILES notation for 1-(2-hydroxyethyl)-2,3-dimethylguanidine?
The canonical SMILES for 1-(2-hydroxyethyl)-2,3-dimethylguanidine is C/N=C(\NC)NCCO.
What is the InChIKey of 1-(2-hydroxyethyl)-2,3-dimethylguanidine?
The InChIKey is VKSFBOJMWLJXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-6-5(7-2)8-3-4-9/h9H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 1-(2-hydroxyethyl)-2,3-dimethylguanidine?
1-(2-hydroxyethyl)-2,3-dimethylguanidine has a molecular weight of 131.18 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-2,3-dimethylguanidine is sourced from PubChem (CID 22977239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).