1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine

C13H27NO — CID 134396152

IUPAC1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCCCC(C)(C)N1CC(OC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-7-8-13(5,6)14-9-11(10-14)15-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyNAVRHFTYMMXBIO-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine

1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine (PubChem CID 134396152) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine.

Molecular Properties

Compound Name1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine
PubChem CID134396152
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine
SMILESCCCC(C)(C)N1CC(OC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-7-8-13(5,6)14-9-11(10-14)15-12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyNAVRHFTYMMXBIO-UHFFFAOYSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
The IUPAC name of 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine (CID 134396152) is 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine.
What is the SMILES notation for 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
The canonical SMILES for 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine is CCCC(C)(C)N1CC(OC(C)(C)C)C1.
What is the InChIKey of 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
The InChIKey is NAVRHFTYMMXBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-8-13(5,6)14-9-11(10-14)15-12(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine?
1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine has a molecular weight of 213.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-2-yl)-3-[(2-methylpropan-2-yl)oxy]azetidine is sourced from PubChem (CID 134396152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).