3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride

C7H16ClNO — CID 71755657

IUPAC3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride
SMILESCC(C)(C)OC1CNC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2,3)9-6-4-8-5-6;/h6,8H,4-5H2,1-3H3;1H
InChIKeyDGCQCDRPWGBFON-UHFFFAOYSA-N
MW165.66 g/mol
LogP1.20
Rot. Bonds1

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

3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride (PubChem CID 71755657) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride
PubChem CID71755657
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride
SMILESCC(C)(C)OC1CNC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(2,3)9-6-4-8-5-6;/h6,8H,4-5H2,1-3H3;1H
InChIKeyDGCQCDRPWGBFON-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride (CID 71755657) is 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride is CC(C)(C)OC1CNC1.Cl.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride?
The InChIKey is DGCQCDRPWGBFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-7(2,3)9-6-4-8-5-6;/h6,8H,4-5H2,1-3H3;1H.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride?
3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]azetidine;hydrochloride is sourced from PubChem (CID 71755657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).