1-(oxetan-2-yl)propan-2-amine

C6H13NO — CID 84647721

IUPAC1-(oxetan-2-yl)propan-2-amine
SMILESCC(N)CC1CCO1
InChIInChI=1S/C6H13NO/c1-5(7)4-6-2-3-8-6/h5-6H,2-4,7H2,1H3
InChIKeyJXGPXLAZZYSADB-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds2

About 1-(oxetan-2-yl)propan-2-amine

1-(oxetan-2-yl)propan-2-amine (PubChem CID 84647721) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(oxetan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(oxetan-2-yl)propan-2-amine
PubChem CID84647721
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-(oxetan-2-yl)propan-2-amine
SMILESCC(N)CC1CCO1
InChIInChI=1S/C6H13NO/c1-5(7)4-6-2-3-8-6/h5-6H,2-4,7H2,1H3
InChIKeyJXGPXLAZZYSADB-UHFFFAOYSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(oxetan-2-yl)propan-2-amine 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 1-(oxetan-2-yl)propan-2-amine?
The IUPAC name of 1-(oxetan-2-yl)propan-2-amine (CID 84647721) is 1-(oxetan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(oxetan-2-yl)propan-2-amine?
The canonical SMILES for 1-(oxetan-2-yl)propan-2-amine is CC(N)CC1CCO1.
What is the InChIKey of 1-(oxetan-2-yl)propan-2-amine?
The InChIKey is JXGPXLAZZYSADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7)4-6-2-3-8-6/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(oxetan-2-yl)propan-2-amine?
1-(oxetan-2-yl)propan-2-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-2-yl)propan-2-amine is sourced from PubChem (CID 84647721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).