1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol

C11H22N2O2 — CID 67355346

IUPAC1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol
SMILESOC1CN(CNCCC2CCOCC2)C1
InChIInChI=1S/C11H22N2O2/c14-11-7-13(8-11)9-12-4-1-10-2-5-15-6-3-10/h10-12,14H,1-9H2
InChIKeyDAQUXMRTOGJSSR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.03
Rot. Bonds5

About 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol

1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol (PubChem CID 67355346) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol
PubChem CID67355346
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol
SMILESOC1CN(CNCCC2CCOCC2)C1
InChIInChI=1S/C11H22N2O2/c14-11-7-13(8-11)9-12-4-1-10-2-5-15-6-3-10/h10-12,14H,1-9H2
InChIKeyDAQUXMRTOGJSSR-UHFFFAOYSA-N
XLogP0.03
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214330
3-[2-(oxan-4-yl)ethylamino]propane-1-thiol
CID 115225191
1-[(oxolan-2-ylmethylamino)methyl]azetidin-3-ol
CID 67354791
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
CID 115203437
tert-butyl 3-[2-(oxan-4-ylmethylamino)ethyl]piperidine-1-carboxylate
CID 103745414
2-(oxan-4-yl)ethylurea
CID 68798130
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115244358
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol?
The IUPAC name of 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol (CID 67355346) is 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol is OC1CN(CNCCC2CCOCC2)C1.
What is the InChIKey of 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol?
The InChIKey is DAQUXMRTOGJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c14-11-7-13(8-11)9-12-4-1-10-2-5-15-6-3-10/h10-12,14H,1-9H2.
What are the key properties of 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol?
1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol has a molecular weight of 214.31 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(oxan-4-yl)ethylamino]methyl]azetidin-3-ol is sourced from PubChem (CID 67355346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).