N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate

C12H25NO2 — CID 172705109

IUPACN-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCN(C)CC
InChIInChI=1S/C7H12O2.C5H13N/c1-4-5-9-7(8)6(2)3;1-4-6(3)5-2/h2,4-5H2,1,3H3;4-5H2,1-3H3
InChIKeyDMBSOPMFOBQPDW-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate

N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate (PubChem CID 172705109) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate.

Molecular Properties

Compound NameN-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
PubChem CID172705109
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC.CCN(C)CC
InChIInChI=1S/C7H12O2.C5H13N/c1-4-5-9-7(8)6(2)3;1-4-6(3)5-2/h2,4-5H2,1,3H3;4-5H2,1-3H3
InChIKeyDMBSOPMFOBQPDW-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
dimethoxy(methyl)silane;propyl 2-methylprop-2-enoate
CID 159386430
propyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 157240660
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
ethyl(dimethoxy)silane;propyl 2-methylprop-2-enoate
CID 158202415
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-methylprop-2-enoate;methane
CID 159646333
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate?
The IUPAC name of N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate (CID 172705109) is N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate.
What is the SMILES notation for N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate?
The canonical SMILES for N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC.CCN(C)CC.
What is the InChIKey of N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate?
The InChIKey is DMBSOPMFOBQPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C5H13N/c1-4-5-9-7(8)6(2)3;1-4-6(3)5-2/h2,4-5H2,1,3H3;4-5H2,1-3H3.
What are the key properties of N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate?
N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate has a molecular weight of 215.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate is sourced from PubChem (CID 172705109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).