2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride

C13H27ClN2O — CID 120899235

IUPAC2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
SMILESCCC1CN(CC2(C)CCNC2)CC(C)O1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-12-8-15(7-11(2)16-12)10-13(3)5-6-14-9-13;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyZKHVYKJGQUDOLS-UHFFFAOYSA-N
MW262.82 g/mol
LogP1.91
Rot. Bonds3

About 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride

2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride (PubChem CID 120899235) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
PubChem CID120899235
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
SMILESCCC1CN(CC2(C)CCNC2)CC(C)O1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-12-8-15(7-11(2)16-12)10-13(3)5-6-14-9-13;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyZKHVYKJGQUDOLS-UHFFFAOYSA-N
XLogP1.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
The IUPAC name of 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride (CID 120899235) is 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
The canonical SMILES for 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride is CCC1CN(CC2(C)CCNC2)CC(C)O1.Cl.
What is the InChIKey of 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
The InChIKey is ZKHVYKJGQUDOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-12-8-15(7-11(2)16-12)10-13(3)5-6-14-9-13;/h11-12,14H,4-10H2,1-3H3;1H.
What are the key properties of 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride?
2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 120899235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).