3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride

C8H18ClNO4 — CID 23093485

IUPAC3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride
SMILESCNCCOC(=O)OCCCOC.Cl
InChIInChI=1S/C8H17NO4.ClH/c1-9-4-7-13-8(10)12-6-3-5-11-2;/h9H,3-7H2,1-2H3;1H
InChIKeyJEOKABHDANEWCT-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.82
Rot. Bonds7

About 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride

3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride (PubChem CID 23093485) has the molecular formula C8H18ClNO4 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride
PubChem CID23093485
Molecular FormulaC8H18ClNO4
Molecular Weight227.69 g/mol
Exact Mass227.09
IUPAC Name3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride
SMILESCNCCOC(=O)OCCCOC.Cl
InChIInChI=1S/C8H17NO4.ClH/c1-9-4-7-13-8(10)12-6-3-5-11-2;/h9H,3-7H2,1-2H3;1H
InChIKeyJEOKABHDANEWCT-UHFFFAOYSA-N
XLogP0.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.82
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 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride?
The IUPAC name of 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride (CID 23093485) is 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride.
What is the SMILES notation for 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride?
The canonical SMILES for 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride is CNCCOC(=O)OCCCOC.Cl.
What is the InChIKey of 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride?
The InChIKey is JEOKABHDANEWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4.ClH/c1-9-4-7-13-8(10)12-6-3-5-11-2;/h9H,3-7H2,1-2H3;1H.
What are the key properties of 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride?
3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2-(methylamino)ethyl carbonate;hydrochloride is sourced from PubChem (CID 23093485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).