ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

C12H25NO2 — CID 140517255

IUPACethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CC.[CH2-]C
InChIInChI=1S/C10H20NO2.C2H5/c1-7-11(5,6)9(4)13-10(12)8(2)3;1-2/h9H,2,7H2,1,3-6H3;1H2,2H3/q+1;-1
InChIKeyJQIQHNSDCLTSSY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.39
Rot. Bonds4

About ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium

ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 140517255) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

Compound Nameethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
PubChem CID140517255
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
SMILESC=C(C)C(=O)OC(C)[N+](C)(C)CC.[CH2-]C
InChIInChI=1S/C10H20NO2.C2H5/c1-7-11(5,6)9(4)13-10(12)8(2)3;1-2/h9H,2,7H2,1,3-6H3;1H2,2H3/q+1;-1
InChIKeyJQIQHNSDCLTSSY-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
CID 175070696
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 166790157
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 166790156
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87570281
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18552290
benzyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 21188240
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)hexadecyl]azanium
CID 161228448
propan-2-yl 2-methylprop-2-enoate
CID 146421311
ethyl sulfate;triethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140549168

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The IUPAC name of ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 140517255) is ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium.
What is the SMILES notation for ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The canonical SMILES for ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OC(C)[N+](C)(C)CC.[CH2-]C.
What is the InChIKey of ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
The InChIKey is JQIQHNSDCLTSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2.C2H5/c1-7-11(5,6)9(4)13-10(12)8(2)3;1-2/h9H,2,7H2,1,3-6H3;1H2,2H3/q+1;-1.
What are the key properties of ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium?
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 215.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 140517255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).