azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride

C8H19ClN2O2 — CID 174816672

IUPACazane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride
SMILESCC1(CC2CO2)CNCCO1.Cl.N
InChIInChI=1S/C8H15NO2.ClH.H3N/c1-8(4-7-5-10-7)6-9-2-3-11-8;;/h7,9H,2-6H2,1H3;1H;1H3
InChIKeyIXUFCUXXTSDDFJ-UHFFFAOYSA-N
MW210.70 g/mol
LogP0.74
Rot. Bonds2

About azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride

azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride (PubChem CID 174816672) has the molecular formula C8H19ClN2O2 and a molecular weight of 210.70 g/mol. Its IUPAC name is azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Nameazane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride
PubChem CID174816672
Molecular FormulaC8H19ClN2O2
Molecular Weight210.70 g/mol
Exact Mass210.11
IUPAC Nameazane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride
SMILESCC1(CC2CO2)CNCCO1.Cl.N
InChIInChI=1S/C8H15NO2.ClH.H3N/c1-8(4-7-5-10-7)6-9-2-3-11-8;;/h7,9H,2-6H2,1H3;1H;1H3
InChIKeyIXUFCUXXTSDDFJ-UHFFFAOYSA-N
XLogP0.74
TPSA68.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride?
The IUPAC name of azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride (CID 174816672) is azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride.
What is the SMILES notation for azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride?
The canonical SMILES for azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride is CC1(CC2CO2)CNCCO1.Cl.N.
What is the InChIKey of azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride?
The InChIKey is IXUFCUXXTSDDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH.H3N/c1-8(4-7-5-10-7)6-9-2-3-11-8;;/h7,9H,2-6H2,1H3;1H;1H3.
What are the key properties of azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride?
azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride has a molecular weight of 210.70 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methyl-2-(oxiran-2-ylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 174816672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).