methane;methyl 2-(methylamino)ethyl carbonate

C6H15NO3 — CID 160552254

IUPACmethane;methyl 2-(methylamino)ethyl carbonate
SMILESC.CNCCOC(=O)OC
InChIInChI=1S/C5H11NO3.CH4/c1-6-3-4-9-5(7)8-2;/h6H,3-4H2,1-2H3;1H4
InChIKeyQYFOTXQQVWMLIK-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.62
Rot. Bonds3

About methane;methyl 2-(methylamino)ethyl carbonate

methane;methyl 2-(methylamino)ethyl carbonate (PubChem CID 160552254) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is methane;methyl 2-(methylamino)ethyl carbonate.

Molecular Properties

Compound Namemethane;methyl 2-(methylamino)ethyl carbonate
PubChem CID160552254
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Namemethane;methyl 2-(methylamino)ethyl carbonate
SMILESC.CNCCOC(=O)OC
InChIInChI=1S/C5H11NO3.CH4/c1-6-3-4-9-5(7)8-2;/h6H,3-4H2,1-2H3;1H4
InChIKeyQYFOTXQQVWMLIK-UHFFFAOYSA-N
XLogP0.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.62
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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Related Compounds

tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
CID 158329975
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
2-(methylamino)ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 138564197
2-(methylamino)ethyl 2-amino-3-methylbutanoate
CID 72523693
methyl [3-(methylamino)-3-oxopropyl] carbonate
CID 118406273
2-[4-(ethylamino)butylamino]ethyl methyl carbonate
CID 59121659
bis[2-(methylamino)ethyl] hexanedioate;polane
CID 173355362
methane;2-methoxy-N-methylethanamine
CID 159300149
methyl 2-(trimethyl-λ4-sulfanyl)ethyl carbonate
CID 155022771
1-methoxypropane;methyl propyl carbonate
CID 159112216

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-(methylamino)ethyl carbonate?
The IUPAC name of methane;methyl 2-(methylamino)ethyl carbonate (CID 160552254) is methane;methyl 2-(methylamino)ethyl carbonate.
What is the SMILES notation for methane;methyl 2-(methylamino)ethyl carbonate?
The canonical SMILES for methane;methyl 2-(methylamino)ethyl carbonate is C.CNCCOC(=O)OC.
What is the InChIKey of methane;methyl 2-(methylamino)ethyl carbonate?
The InChIKey is QYFOTXQQVWMLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.CH4/c1-6-3-4-9-5(7)8-2;/h6H,3-4H2,1-2H3;1H4.
What are the key properties of methane;methyl 2-(methylamino)ethyl carbonate?
methane;methyl 2-(methylamino)ethyl carbonate has a molecular weight of 149.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-(methylamino)ethyl carbonate is sourced from PubChem (CID 160552254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).