oxetan-3-ylmethanamine

C4H9NO — CID 46840007

IUPACoxetan-3-ylmethanamine
SMILESNCC1COC1
InChIInChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2
InChIKeyKTHZBRAXOLUNBN-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.41
Rot. Bonds1

About oxetan-3-ylmethanamine

oxetan-3-ylmethanamine (PubChem CID 46840007) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is oxetan-3-ylmethanamine.

Molecular Properties

Compound Nameoxetan-3-ylmethanamine
PubChem CID46840007
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Nameoxetan-3-ylmethanamine
SMILESNCC1COC1
InChIInChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2
InChIKeyKTHZBRAXOLUNBN-UHFFFAOYSA-N
XLogP-0.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze oxetan-3-ylmethanamine 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 oxetan-3-ylmethanamine?
The IUPAC name of oxetan-3-ylmethanamine (CID 46840007) is oxetan-3-ylmethanamine.
What is the SMILES notation for oxetan-3-ylmethanamine?
The canonical SMILES for oxetan-3-ylmethanamine is NCC1COC1.
What is the InChIKey of oxetan-3-ylmethanamine?
The InChIKey is KTHZBRAXOLUNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2.
What are the key properties of oxetan-3-ylmethanamine?
oxetan-3-ylmethanamine has a molecular weight of 87.12 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-ylmethanamine is sourced from PubChem (CID 46840007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).