2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride

C7H16ClNO3 — CID 23103054

IUPAC2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride
SMILESCNCCOC(=O)OC(C)C.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-6(2)11-7(9)10-5-4-8-3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyPSEJXDWCRWLXOQ-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.19
Rot. Bonds4

About 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride

2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride (PubChem CID 23103054) has the molecular formula C7H16ClNO3 and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride
PubChem CID23103054
Molecular FormulaC7H16ClNO3
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride
SMILESCNCCOC(=O)OC(C)C.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-6(2)11-7(9)10-5-4-8-3;/h6,8H,4-5H2,1-3H3;1H
InChIKeyPSEJXDWCRWLXOQ-UHFFFAOYSA-N
XLogP1.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 propan-2-yl carbonate;hydrochloride?
The IUPAC name of 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride (CID 23103054) is 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride.
What is the SMILES notation for 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride?
The canonical SMILES for 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride is CNCCOC(=O)OC(C)C.Cl.
What is the InChIKey of 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride?
The InChIKey is PSEJXDWCRWLXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.ClH/c1-6(2)11-7(9)10-5-4-8-3;/h6,8H,4-5H2,1-3H3;1H.
What are the key properties of 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride?
2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl propan-2-yl carbonate;hydrochloride is sourced from PubChem (CID 23103054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).