(2S,4S)-2,4-dimethylazetidine;hydrochloride

C5H12ClN — CID 135392273

IUPAC(2S,4S)-2,4-dimethylazetidine;hydrochloride
SMILESC[C@H]1C[C@H](C)N1.Cl
InChIInChI=1S/C5H11N.ClH/c1-4-3-5(2)6-4;/h4-6H,3H2,1-2H3;1H/t4-,5-;/m0./s1
InChIKeyHNDQBGXJXDSIMB-FHAQVOQBSA-N
MW121.61 g/mol
LogP1.18
Rot. Bonds

About (2S,4S)-2,4-dimethylazetidine;hydrochloride

(2S,4S)-2,4-dimethylazetidine;hydrochloride (PubChem CID 135392273) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethylazetidine;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethylazetidine;hydrochloride
PubChem CID135392273
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Name(2S,4S)-2,4-dimethylazetidine;hydrochloride
SMILESC[C@H]1C[C@H](C)N1.Cl
InChIInChI=1S/C5H11N.ClH/c1-4-3-5(2)6-4;/h4-6H,3H2,1-2H3;1H/t4-,5-;/m0./s1
InChIKeyHNDQBGXJXDSIMB-FHAQVOQBSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dimethylazetidine;hydrochloride?
The IUPAC name of (2S,4S)-2,4-dimethylazetidine;hydrochloride (CID 135392273) is (2S,4S)-2,4-dimethylazetidine;hydrochloride.
What is the SMILES notation for (2S,4S)-2,4-dimethylazetidine;hydrochloride?
The canonical SMILES for (2S,4S)-2,4-dimethylazetidine;hydrochloride is C[C@H]1C[C@H](C)N1.Cl.
What is the InChIKey of (2S,4S)-2,4-dimethylazetidine;hydrochloride?
The InChIKey is HNDQBGXJXDSIMB-FHAQVOQBSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-4-3-5(2)6-4;/h4-6H,3H2,1-2H3;1H/t4-,5-;/m0./s1.
What are the key properties of (2S,4S)-2,4-dimethylazetidine;hydrochloride?
(2S,4S)-2,4-dimethylazetidine;hydrochloride has a molecular weight of 121.61 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dimethylazetidine;hydrochloride is sourced from PubChem (CID 135392273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).