2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride

C9H18ClNO4 — CID 23071196

IUPAC2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride
SMILESCNCCOC(=O)OC1CCOCC1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-10-4-7-13-9(11)14-8-2-5-12-6-3-8;/h8,10H,2-7H2,1H3;1H
InChIKeyQJIVINOCHYOBBP-UHFFFAOYSA-N
MW239.70 g/mol
LogP0.96
Rot. Bonds4

About 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride

2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride (PubChem CID 23071196) has the molecular formula C9H18ClNO4 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride
PubChem CID23071196
Molecular FormulaC9H18ClNO4
Molecular Weight239.70 g/mol
Exact Mass239.09
IUPAC Name2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride
SMILESCNCCOC(=O)OC1CCOCC1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-10-4-7-13-9(11)14-8-2-5-12-6-3-8;/h8,10H,2-7H2,1H3;1H
InChIKeyQJIVINOCHYOBBP-UHFFFAOYSA-N
XLogP0.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride?
The IUPAC name of 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride (CID 23071196) is 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride.
What is the SMILES notation for 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride?
The canonical SMILES for 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride is CNCCOC(=O)OC1CCOCC1.Cl.
What is the InChIKey of 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride?
The InChIKey is QJIVINOCHYOBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4.ClH/c1-10-4-7-13-9(11)14-8-2-5-12-6-3-8;/h8,10H,2-7H2,1H3;1H.
What are the key properties of 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride?
2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl oxan-4-yl carbonate;hydrochloride is sourced from PubChem (CID 23071196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).