2-(1-aminooxyethyl)guanidine

C3H10N4O — CID 173251677

IUPAC2-(1-aminooxyethyl)guanidine
SMILESCC(N=C(N)N)ON
InChIInChI=1S/C3H10N4O/c1-2(8-6)7-3(4)5/h2H,6H2,1H3,(H4,4,5,7)
InChIKeyXVPKNFIENKBFDU-UHFFFAOYSA-N
MW118.14 g/mol
LogP-1.50
Rot. Bonds2

About 2-(1-aminooxyethyl)guanidine

2-(1-aminooxyethyl)guanidine (PubChem CID 173251677) has the molecular formula C3H10N4O and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-(1-aminooxyethyl)guanidine.

Molecular Properties

Compound Name2-(1-aminooxyethyl)guanidine
PubChem CID173251677
Molecular FormulaC3H10N4O
Molecular Weight118.14 g/mol
Exact Mass118.09
IUPAC Name2-(1-aminooxyethyl)guanidine
SMILESCC(N=C(N)N)ON
InChIInChI=1S/C3H10N4O/c1-2(8-6)7-3(4)5/h2H,6H2,1H3,(H4,4,5,7)
InChIKeyXVPKNFIENKBFDU-UHFFFAOYSA-N
XLogP-1.50
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-aminooxyethyl)guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminooxyethyl)guanidine?
The IUPAC name of 2-(1-aminooxyethyl)guanidine (CID 173251677) is 2-(1-aminooxyethyl)guanidine.
What is the SMILES notation for 2-(1-aminooxyethyl)guanidine?
The canonical SMILES for 2-(1-aminooxyethyl)guanidine is CC(N=C(N)N)ON.
What is the InChIKey of 2-(1-aminooxyethyl)guanidine?
The InChIKey is XVPKNFIENKBFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O/c1-2(8-6)7-3(4)5/h2H,6H2,1H3,(H4,4,5,7).
What are the key properties of 2-(1-aminooxyethyl)guanidine?
2-(1-aminooxyethyl)guanidine has a molecular weight of 118.14 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminooxyethyl)guanidine is sourced from PubChem (CID 173251677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).