1,2-dimethylazetidine;hydrochloride

C5H12ClN — CID 67508905

IUPAC1,2-dimethylazetidine;hydrochloride
SMILESCC1CCN1C.Cl
InChIInChI=1S/C5H11N.ClH/c1-5-3-4-6(5)2;/h5H,3-4H2,1-2H3;1H
InChIKeyCCXVIOVJRWUBKR-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.13
Rot. Bonds

About 1,2-dimethylazetidine;hydrochloride

1,2-dimethylazetidine;hydrochloride (PubChem CID 67508905) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is 1,2-dimethylazetidine;hydrochloride.

Molecular Properties

Compound Name1,2-dimethylazetidine;hydrochloride
PubChem CID67508905
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name1,2-dimethylazetidine;hydrochloride
SMILESCC1CCN1C.Cl
InChIInChI=1S/C5H11N.ClH/c1-5-3-4-6(5)2;/h5H,3-4H2,1-2H3;1H
InChIKeyCCXVIOVJRWUBKR-UHFFFAOYSA-N
XLogP1.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylazetidine;hydrochloride?
The IUPAC name of 1,2-dimethylazetidine;hydrochloride (CID 67508905) is 1,2-dimethylazetidine;hydrochloride.
What is the SMILES notation for 1,2-dimethylazetidine;hydrochloride?
The canonical SMILES for 1,2-dimethylazetidine;hydrochloride is CC1CCN1C.Cl.
What is the InChIKey of 1,2-dimethylazetidine;hydrochloride?
The InChIKey is CCXVIOVJRWUBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-5-3-4-6(5)2;/h5H,3-4H2,1-2H3;1H.
What are the key properties of 1,2-dimethylazetidine;hydrochloride?
1,2-dimethylazetidine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylazetidine;hydrochloride is sourced from PubChem (CID 67508905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).