2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride

C7H16ClNO4 — CID 23103056

IUPAC2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride
SMILESCNCCOC(=O)OCCOC.Cl
InChIInChI=1S/C7H15NO4.ClH/c1-8-3-4-11-7(9)12-6-5-10-2;/h8H,3-6H2,1-2H3;1H
InChIKeyPZPYRIKMDBMQSO-UHFFFAOYSA-N
MW213.66 g/mol
LogP0.43
Rot. Bonds6

About 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride

2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride (PubChem CID 23103056) has the molecular formula C7H16ClNO4 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride
PubChem CID23103056
Molecular FormulaC7H16ClNO4
Molecular Weight213.66 g/mol
Exact Mass213.08
IUPAC Name2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride
SMILESCNCCOC(=O)OCCOC.Cl
InChIInChI=1S/C7H15NO4.ClH/c1-8-3-4-11-7(9)12-6-5-10-2;/h8H,3-6H2,1-2H3;1H
InChIKeyPZPYRIKMDBMQSO-UHFFFAOYSA-N
XLogP0.43
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 50.43
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-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride?
The IUPAC name of 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride (CID 23103056) is 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride.
What is the SMILES notation for 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride?
The canonical SMILES for 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride is CNCCOC(=O)OCCOC.Cl.
What is the InChIKey of 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride?
The InChIKey is PZPYRIKMDBMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4.ClH/c1-8-3-4-11-7(9)12-6-5-10-2;/h8H,3-6H2,1-2H3;1H.
What are the key properties of 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride?
2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(methylamino)ethyl carbonate;hydrochloride is sourced from PubChem (CID 23103056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).