3,3-diethylazetidine;hydrochloride

C7H16ClN — CID 119032125

IUPAC3,3-diethylazetidine;hydrochloride
SMILESCCC1(CC)CNC1.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-7(4-2)5-8-6-7;/h8H,3-6H2,1-2H3;1H
InChIKeyLVZQNEMLAVAXGP-UHFFFAOYSA-N
MW149.67 g/mol
LogP1.82
Rot. Bonds2

About 3,3-diethylazetidine;hydrochloride

3,3-diethylazetidine;hydrochloride (PubChem CID 119032125) has the molecular formula C7H16ClN and a molecular weight of 149.67 g/mol. Its IUPAC name is 3,3-diethylazetidine;hydrochloride.

Molecular Properties

Compound Name3,3-diethylazetidine;hydrochloride
PubChem CID119032125
Molecular FormulaC7H16ClN
Molecular Weight149.67 g/mol
Exact Mass149.10
IUPAC Name3,3-diethylazetidine;hydrochloride
SMILESCCC1(CC)CNC1.Cl
InChIInChI=1S/C7H15N.ClH/c1-3-7(4-2)5-8-6-7;/h8H,3-6H2,1-2H3;1H
InChIKeyLVZQNEMLAVAXGP-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.67
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethylazetidine;hydrochloride?
The IUPAC name of 3,3-diethylazetidine;hydrochloride (CID 119032125) is 3,3-diethylazetidine;hydrochloride.
What is the SMILES notation for 3,3-diethylazetidine;hydrochloride?
The canonical SMILES for 3,3-diethylazetidine;hydrochloride is CCC1(CC)CNC1.Cl.
What is the InChIKey of 3,3-diethylazetidine;hydrochloride?
The InChIKey is LVZQNEMLAVAXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-3-7(4-2)5-8-6-7;/h8H,3-6H2,1-2H3;1H.
What are the key properties of 3,3-diethylazetidine;hydrochloride?
3,3-diethylazetidine;hydrochloride has a molecular weight of 149.67 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethylazetidine;hydrochloride is sourced from PubChem (CID 119032125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).