3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine

C9H19NO — CID 112592567

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
SMILESCC(C)(C)OCCC1CNC1
InChIInChI=1S/C9H19NO/c1-9(2,3)11-5-4-8-6-10-7-8/h8,10H,4-7H2,1-3H3
InChIKeySHXOWCGHPLIYBP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

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

3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine (PubChem CID 112592567) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
PubChem CID112592567
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
SMILESCC(C)(C)OCCC1CNC1
InChIInChI=1S/C9H19NO/c1-9(2,3)11-5-4-8-6-10-7-8/h8,10H,4-7H2,1-3H3
InChIKeySHXOWCGHPLIYBP-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
CID 10821871
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114451772
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
CID 112587717
2-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 10797616
3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 546092
3-[2-(2-tert-butyl-5-methylphenoxy)ethyl]azetidine
CID 107391583
3-butylazetidine
CID 20827268
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 116679616
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
CID 112591267
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
CID 112591275
3-[1-[(2-methylpropan-2-yl)oxy]butan-2-yl]azetidine
CID 135243155

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine (CID 112592567) is 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine is CC(C)(C)OCCC1CNC1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
The InChIKey is SHXOWCGHPLIYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)11-5-4-8-6-10-7-8/h8,10H,4-7H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine?
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine is sourced from PubChem (CID 112592567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).