1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine

C17H34N2O — CID 135165016

IUPAC1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine
SMILESCC(C)(C)CN1CC(COC2CN(CC(C)(C)C)C2)C1
InChIInChI=1S/C17H34N2O/c1-16(2,3)12-18-7-14(8-18)11-20-15-9-19(10-15)13-17(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyXYAJVGLLTZNTAK-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.71
Rot. Bonds5

About 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine

1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine (PubChem CID 135165016) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine
PubChem CID135165016
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine
SMILESCC(C)(C)CN1CC(COC2CN(CC(C)(C)C)C2)C1
InChIInChI=1S/C17H34N2O/c1-16(2,3)12-18-7-14(8-18)11-20-15-9-19(10-15)13-17(4,5)6/h14-15H,7-13H2,1-6H3
InChIKeyXYAJVGLLTZNTAK-UHFFFAOYSA-N
XLogP2.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine 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-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine (CID 135165016) is 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine is CC(C)(C)CN1CC(COC2CN(CC(C)(C)C)C2)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine?
The InChIKey is XYAJVGLLTZNTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16(2,3)12-18-7-14(8-18)11-20-15-9-19(10-15)13-17(4,5)6/h14-15H,7-13H2,1-6H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine?
1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine has a molecular weight of 282.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[[1-(2,2-dimethylpropyl)azetidin-3-yl]methoxy]azetidine is sourced from PubChem (CID 135165016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).