1-amino-1-(2-hydroxyethyl)guanidine

C3H10N4O — CID 15114687

IUPAC1-amino-1-(2-hydroxyethyl)guanidine
SMILES[H]/N=C(\N)N(N)CCO
InChIInChI=1S/C3H10N4O/c4-3(5)7(6)1-2-8/h8H,1-2,6H2,(H3,4,5)
InChIKeyYCSZARYAKLLAMM-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.95
Rot. Bonds2

About 1-amino-1-(2-hydroxyethyl)guanidine

1-amino-1-(2-hydroxyethyl)guanidine (PubChem CID 15114687) has the molecular formula C3H10N4O and a molecular weight of 118.14 g/mol. Its IUPAC name is 1-amino-1-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-1-(2-hydroxyethyl)guanidine
PubChem CID15114687
Molecular FormulaC3H10N4O
Molecular Weight118.14 g/mol
Exact Mass118.09
IUPAC Name1-amino-1-(2-hydroxyethyl)guanidine
SMILES[H]/N=C(\N)N(N)CCO
InChIInChI=1S/C3H10N4O/c4-3(5)7(6)1-2-8/h8H,1-2,6H2,(H3,4,5)
InChIKeyYCSZARYAKLLAMM-UHFFFAOYSA-N
XLogP-1.95
TPSA99.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-amino-1-(2-hydroxyethyl)guanidine (CID 15114687) is 1-amino-1-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-amino-1-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-amino-1-(2-hydroxyethyl)guanidine is [H]/N=C(\N)N(N)CCO.
What is the InChIKey of 1-amino-1-(2-hydroxyethyl)guanidine?
The InChIKey is YCSZARYAKLLAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O/c4-3(5)7(6)1-2-8/h8H,1-2,6H2,(H3,4,5).
What are the key properties of 1-amino-1-(2-hydroxyethyl)guanidine?
1-amino-1-(2-hydroxyethyl)guanidine has a molecular weight of 118.14 g/mol, XLogP of -1.95, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 15114687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).