2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine

C5H14N4O2 — CID 138685069

IUPAC2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine
SMILESNCCOC(CO)N=C(N)N
InChIInChI=1S/C5H14N4O2/c6-1-2-11-4(3-10)9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9)
InChIKeyYRJCZYUGFLQQGN-UHFFFAOYSA-N
MW162.19 g/mol
LogP-2.45
Rot. Bonds5

About 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine

2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine (PubChem CID 138685069) has the molecular formula C5H14N4O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine.

Molecular Properties

Compound Name2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine
PubChem CID138685069
Molecular FormulaC5H14N4O2
Molecular Weight162.19 g/mol
Exact Mass162.11
IUPAC Name2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine
SMILESNCCOC(CO)N=C(N)N
InChIInChI=1S/C5H14N4O2/c6-1-2-11-4(3-10)9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9)
InChIKeyYRJCZYUGFLQQGN-UHFFFAOYSA-N
XLogP-2.45
TPSA119.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoethoxy(trihydroxy)phosphanium
CID 55290252
2-(2-aminoethoxy)-3,3-dimethylbutan-1-ol
CID 175288171
2-(2-aminoethoxymethyl)propane-1,3-diol
CID 118527110
2-amino-1-(2-aminoethoxy)ethanol
CID 22372816
2-(1-hydroxy-4-methylpentan-2-yl)guanidine
CID 62358457
3-[3-(2-aminoethoxy)butan-2-yloxy]propane-1,2-diol
CID 129092165
1-(2-aminoethoxy)ethanol;hydroxylamine
CID 87972798
2-propan-2-yloxyethanamine
CID 533866
1-(2-aminoethoxy)propan-1-ol
CID 87147915
2-(1-hydroxy-3-methylbutan-2-yl)guanidine
CID 59851371
2-aminoethoxy(ethoxy)methanol
CID 155706478
1-(2-aminoethoxy)-2,2-dimethylpropan-1-ol
CID 123688713

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine?
The IUPAC name of 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine (CID 138685069) is 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine.
What is the SMILES notation for 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine?
The canonical SMILES for 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine is NCCOC(CO)N=C(N)N.
What is the InChIKey of 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine?
The InChIKey is YRJCZYUGFLQQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4O2/c6-1-2-11-4(3-10)9-5(7)8/h4,10H,1-3,6H2,(H4,7,8,9).
What are the key properties of 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine?
2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine has a molecular weight of 162.19 g/mol, XLogP of -2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethoxy)-2-hydroxyethyl]guanidine is sourced from PubChem (CID 138685069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).