3,3-dimethylazetidine;hydrochloride

C5H12ClN — CID 50988120

IUPAC3,3-dimethylazetidine;hydrochloride
SMILESCC1(C)CNC1.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(2)3-6-4-5;/h6H,3-4H2,1-2H3;1H
InChIKeyDVPXDZWZLKNLJX-UHFFFAOYSA-N
MW121.61 g/mol
LogP1.04
Rot. Bonds

About 3,3-dimethylazetidine;hydrochloride

3,3-dimethylazetidine;hydrochloride (PubChem CID 50988120) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is 3,3-dimethylazetidine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylazetidine;hydrochloride
PubChem CID50988120
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name3,3-dimethylazetidine;hydrochloride
SMILESCC1(C)CNC1.Cl
InChIInChI=1S/C5H11N.ClH/c1-5(2)3-6-4-5;/h6H,3-4H2,1-2H3;1H
InChIKeyDVPXDZWZLKNLJX-UHFFFAOYSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylazetidine;hydrochloride?
The IUPAC name of 3,3-dimethylazetidine;hydrochloride (CID 50988120) is 3,3-dimethylazetidine;hydrochloride.
What is the SMILES notation for 3,3-dimethylazetidine;hydrochloride?
The canonical SMILES for 3,3-dimethylazetidine;hydrochloride is CC1(C)CNC1.Cl.
What is the InChIKey of 3,3-dimethylazetidine;hydrochloride?
The InChIKey is DVPXDZWZLKNLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-5(2)3-6-4-5;/h6H,3-4H2,1-2H3;1H.
What are the key properties of 3,3-dimethylazetidine;hydrochloride?
3,3-dimethylazetidine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylazetidine;hydrochloride is sourced from PubChem (CID 50988120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).