4-methylmorpholine;hydrochloride

C5H12ClNO — CID 3083815

IUPAC4-methylmorpholine;hydrochloride
SMILESCN1CCOCC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H
InChIKeyBTJRKNUKPQBLAL-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.37
Rot. Bonds

About 4-methylmorpholine;hydrochloride

4-methylmorpholine;hydrochloride (PubChem CID 3083815) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 4-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-methylmorpholine;hydrochloride
PubChem CID3083815
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name4-methylmorpholine;hydrochloride
SMILESCN1CCOCC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H
InChIKeyBTJRKNUKPQBLAL-UHFFFAOYSA-N
XLogP0.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;hydrochloride?
The IUPAC name of 4-methylmorpholine;hydrochloride (CID 3083815) is 4-methylmorpholine;hydrochloride.
What is the SMILES notation for 4-methylmorpholine;hydrochloride?
The canonical SMILES for 4-methylmorpholine;hydrochloride is CN1CCOCC1.Cl.
What is the InChIKey of 4-methylmorpholine;hydrochloride?
The InChIKey is BTJRKNUKPQBLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-6-2-4-7-5-3-6;/h2-5H2,1H3;1H.
What are the key properties of 4-methylmorpholine;hydrochloride?
4-methylmorpholine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;hydrochloride is sourced from PubChem (CID 3083815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).