3-(2,2-dimethylpropyl)azetidine;hydrochloride

C8H18ClN — CID 138039736

IUPAC3-(2,2-dimethylpropyl)azetidine;hydrochloride
SMILESCC(C)(C)CC1CNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-8(2,3)4-7-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyXSHTVAFNOKUHQA-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.06
Rot. Bonds1

About 3-(2,2-dimethylpropyl)azetidine;hydrochloride

3-(2,2-dimethylpropyl)azetidine;hydrochloride (PubChem CID 138039736) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)azetidine;hydrochloride
PubChem CID138039736
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name3-(2,2-dimethylpropyl)azetidine;hydrochloride
SMILESCC(C)(C)CC1CNC1.Cl
InChIInChI=1S/C8H17N.ClH/c1-8(2,3)4-7-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyXSHTVAFNOKUHQA-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)azetidine;hydrochloride?
The IUPAC name of 3-(2,2-dimethylpropyl)azetidine;hydrochloride (CID 138039736) is 3-(2,2-dimethylpropyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(2,2-dimethylpropyl)azetidine;hydrochloride?
The canonical SMILES for 3-(2,2-dimethylpropyl)azetidine;hydrochloride is CC(C)(C)CC1CNC1.Cl.
What is the InChIKey of 3-(2,2-dimethylpropyl)azetidine;hydrochloride?
The InChIKey is XSHTVAFNOKUHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-8(2,3)4-7-5-9-6-7;/h7,9H,4-6H2,1-3H3;1H.
What are the key properties of 3-(2,2-dimethylpropyl)azetidine;hydrochloride?
3-(2,2-dimethylpropyl)azetidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)azetidine;hydrochloride is sourced from PubChem (CID 138039736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).