6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride

C6H13ClN2O2 — CID 75531174

IUPAC6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
SMILESCN1CC(CN)OCC1=O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-8-3-5(2-7)10-4-6(8)9;/h5H,2-4,7H2,1H3;1H
InChIKeyJMWILAJXCMIKDW-UHFFFAOYSA-N
MW180.63 g/mol
LogP-0.78
Rot. Bonds1

About 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride

6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride (PubChem CID 75531174) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
PubChem CID75531174
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride
SMILESCN1CC(CN)OCC1=O.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-8-3-5(2-7)10-4-6(8)9;/h5H,2-4,7H2,1H3;1H
InChIKeyJMWILAJXCMIKDW-UHFFFAOYSA-N
XLogP-0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride?
The IUPAC name of 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride (CID 75531174) is 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride is CN1CC(CN)OCC1=O.Cl.
What is the InChIKey of 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride?
The InChIKey is JMWILAJXCMIKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c1-8-3-5(2-7)10-4-6(8)9;/h5H,2-4,7H2,1H3;1H.
What are the key properties of 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride?
6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-methylmorpholin-3-one;hydrochloride is sourced from PubChem (CID 75531174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).