4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C14H26N2O — CID 116679809

IUPAC4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC(CN1CCOC2CCCCC21)C1CNC1
InChIInChI=1S/C14H26N2O/c1-11(12-8-15-9-12)10-16-6-7-17-14-5-3-2-4-13(14)16/h11-15H,2-10H2,1H3
InChIKeyRVZFALCGHKUXMY-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.49
Rot. Bonds3

About 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 116679809) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID116679809
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC(CN1CCOC2CCCCC21)C1CNC1
InChIInChI=1S/C14H26N2O/c1-11(12-8-15-9-12)10-16-6-7-17-14-5-3-2-4-13(14)16/h11-15H,2-10H2,1H3
InChIKeyRVZFALCGHKUXMY-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine 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 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 116679809) is 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CC(CN1CCOC2CCCCC21)C1CNC1.
What is the InChIKey of 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is RVZFALCGHKUXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(12-8-15-9-12)10-16-6-7-17-14-5-3-2-4-13(14)16/h11-15H,2-10H2,1H3.
What are the key properties of 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 238.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azetidin-3-yl)propyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 116679809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).