oxiran-2-ylmethanamine;trihydrochloride

C3H10Cl3NO — CID 175135913

IUPACoxiran-2-ylmethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CO1
InChIInChI=1S/C3H7NO.3ClH/c4-1-3-2-5-3;;;/h3H,1-2,4H2;3*1H
InChIKeyBBKXGFNNQBYAMG-UHFFFAOYSA-N
MW182.48 g/mol
LogP0.61
Rot. Bonds1

About oxiran-2-ylmethanamine;trihydrochloride

oxiran-2-ylmethanamine;trihydrochloride (PubChem CID 175135913) has the molecular formula C3H10Cl3NO and a molecular weight of 182.48 g/mol. Its IUPAC name is oxiran-2-ylmethanamine;trihydrochloride.

Molecular Properties

Compound Nameoxiran-2-ylmethanamine;trihydrochloride
PubChem CID175135913
Molecular FormulaC3H10Cl3NO
Molecular Weight182.48 g/mol
Exact Mass180.98
IUPAC Nameoxiran-2-ylmethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCC1CO1
InChIInChI=1S/C3H7NO.3ClH/c4-1-3-2-5-3;;;/h3H,1-2,4H2;3*1H
InChIKeyBBKXGFNNQBYAMG-UHFFFAOYSA-N
XLogP0.61
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.48
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxiran-2-ylmethanamine;trihydrochloride 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 oxiran-2-ylmethanamine;trihydrochloride?
The IUPAC name of oxiran-2-ylmethanamine;trihydrochloride (CID 175135913) is oxiran-2-ylmethanamine;trihydrochloride.
What is the SMILES notation for oxiran-2-ylmethanamine;trihydrochloride?
The canonical SMILES for oxiran-2-ylmethanamine;trihydrochloride is Cl.Cl.Cl.NCC1CO1.
What is the InChIKey of oxiran-2-ylmethanamine;trihydrochloride?
The InChIKey is BBKXGFNNQBYAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.3ClH/c4-1-3-2-5-3;;;/h3H,1-2,4H2;3*1H.
What are the key properties of oxiran-2-ylmethanamine;trihydrochloride?
oxiran-2-ylmethanamine;trihydrochloride has a molecular weight of 182.48 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethanamine;trihydrochloride is sourced from PubChem (CID 175135913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).