3,3-dimethylmorpholine;hydrochloride

C6H14ClNO — CID 22342863

IUPAC3,3-dimethylmorpholine;hydrochloride
SMILESCC1(C)COCCN1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)5-8-4-3-7-6;/h7H,3-5H2,1-2H3;1H
InChIKeyLZJCSEZZLIIZJI-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.81
Rot. Bonds

About 3,3-dimethylmorpholine;hydrochloride

3,3-dimethylmorpholine;hydrochloride (PubChem CID 22342863) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 3,3-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylmorpholine;hydrochloride
PubChem CID22342863
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name3,3-dimethylmorpholine;hydrochloride
SMILESCC1(C)COCCN1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(2)5-8-4-3-7-6;/h7H,3-5H2,1-2H3;1H
InChIKeyLZJCSEZZLIIZJI-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylmorpholine;hydrochloride?
The IUPAC name of 3,3-dimethylmorpholine;hydrochloride (CID 22342863) is 3,3-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 3,3-dimethylmorpholine;hydrochloride?
The canonical SMILES for 3,3-dimethylmorpholine;hydrochloride is CC1(C)COCCN1.Cl.
What is the InChIKey of 3,3-dimethylmorpholine;hydrochloride?
The InChIKey is LZJCSEZZLIIZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(2)5-8-4-3-7-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3,3-dimethylmorpholine;hydrochloride?
3,3-dimethylmorpholine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 22342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).