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

C9H17NO4 — CID 23071197

IUPAC2-(methylamino)ethyl oxan-4-yl carbonate
SMILESCNCCOC(=O)OC1CCOCC1
InChIInChI=1S/C9H17NO4/c1-10-4-7-13-9(11)14-8-2-5-12-6-3-8/h8,10H,2-7H2,1H3
InChIKeyRWEKQEFRJMDWFE-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.54
Rot. Bonds4

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

2-(methylamino)ethyl oxan-4-yl carbonate (PubChem CID 23071197) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(methylamino)ethyl oxan-4-yl carbonate.

Molecular Properties

Compound Name2-(methylamino)ethyl oxan-4-yl carbonate
PubChem CID23071197
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-(methylamino)ethyl oxan-4-yl carbonate
SMILESCNCCOC(=O)OC1CCOCC1
InChIInChI=1S/C9H17NO4/c1-10-4-7-13-9(11)14-8-2-5-12-6-3-8/h8,10H,2-7H2,1H3
InChIKeyRWEKQEFRJMDWFE-UHFFFAOYSA-N
XLogP0.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.54
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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Related Compounds

Methyl 2-morpholin-2-ylethyl carbonate
CID 17826772
N-(2,2-dipropoxyethyl)-N-(4-methyl-1,3-dioxan-2-ylmethyl)amine
CID 20322083
2-(Methylamino)ethyl tetrahydropyran-4-yl carbonate hydrochloride
CID 23071196
1-(4-ethyl-2,6-dimethyl-1,3-dioxan-2-yl)-N-methylmethanamine
CID 54256172
carbon dioxide;N,2,2-trimethyl-1,3-dioxan-5-amine
CID 160687589
1-(2,2-dimethyl-1,3-dioxan-4-yl)-N-methylethanamine
CID 167099119
N-methyl-2-(oxan-4-yloxy)ethanamine
CID 61683974
Oxan-4-yl 2-(2-methoxyethylamino)acetate
CID 79272604
N,2-dimethyl-2-propyl-1,3-dioxan-5-amine
CID 84109409
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 113861156

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl oxan-4-yl carbonate?
The IUPAC name of 2-(methylamino)ethyl oxan-4-yl carbonate (CID 23071197) is 2-(methylamino)ethyl oxan-4-yl carbonate.
What is the SMILES notation for 2-(methylamino)ethyl oxan-4-yl carbonate?
The canonical SMILES for 2-(methylamino)ethyl oxan-4-yl carbonate is CNCCOC(=O)OC1CCOCC1.
What is the InChIKey of 2-(methylamino)ethyl oxan-4-yl carbonate?
The InChIKey is RWEKQEFRJMDWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-10-4-7-13-9(11)14-8-2-5-12-6-3-8/h8,10H,2-7H2,1H3.
What are the key properties of 2-(methylamino)ethyl oxan-4-yl carbonate?
2-(methylamino)ethyl oxan-4-yl carbonate has a molecular weight of 203.24 g/mol, XLogP of 0.54, 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 is sourced from PubChem (CID 23071197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).