3-(2-methylpropyl)morpholine;hydrochloride

C8H18ClNO — CID 22342824

IUPAC3-(2-methylpropyl)morpholine;hydrochloride
SMILESCC(C)CC1COCCN1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2)5-8-6-10-4-3-9-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyGPKZEFWVDUMVMK-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.44
Rot. Bonds2

About 3-(2-methylpropyl)morpholine;hydrochloride

3-(2-methylpropyl)morpholine;hydrochloride (PubChem CID 22342824) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 3-(2-methylpropyl)morpholine;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpropyl)morpholine;hydrochloride
PubChem CID22342824
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name3-(2-methylpropyl)morpholine;hydrochloride
SMILESCC(C)CC1COCCN1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2)5-8-6-10-4-3-9-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyGPKZEFWVDUMVMK-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)morpholine;hydrochloride?
The IUPAC name of 3-(2-methylpropyl)morpholine;hydrochloride (CID 22342824) is 3-(2-methylpropyl)morpholine;hydrochloride.
What is the SMILES notation for 3-(2-methylpropyl)morpholine;hydrochloride?
The canonical SMILES for 3-(2-methylpropyl)morpholine;hydrochloride is CC(C)CC1COCCN1.Cl.
What is the InChIKey of 3-(2-methylpropyl)morpholine;hydrochloride?
The InChIKey is GPKZEFWVDUMVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7(2)5-8-6-10-4-3-9-8;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of 3-(2-methylpropyl)morpholine;hydrochloride?
3-(2-methylpropyl)morpholine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)morpholine;hydrochloride is sourced from PubChem (CID 22342824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).