dimethyl-bis(2-prop-2-enoxyethyl)azanium

C12H24NO2+ — CID 87092033

IUPACdimethyl-bis(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(C)CCOCC=C
InChIInChI=1S/C12H24NO2/c1-5-9-14-11-7-13(3,4)8-12-15-10-6-2/h5-6H,1-2,7-12H2,3-4H3/q+1
InChIKeyWBMXBYKGVSBICH-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.47
Rot. Bonds10

About dimethyl-bis(2-prop-2-enoxyethyl)azanium

dimethyl-bis(2-prop-2-enoxyethyl)azanium (PubChem CID 87092033) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is dimethyl-bis(2-prop-2-enoxyethyl)azanium.

Molecular Properties

Compound Namedimethyl-bis(2-prop-2-enoxyethyl)azanium
PubChem CID87092033
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Namedimethyl-bis(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(C)CCOCC=C
InChIInChI=1S/C12H24NO2/c1-5-9-14-11-7-13(3,4)8-12-15-10-6-2/h5-6H,1-2,7-12H2,3-4H3/q+1
InChIKeyWBMXBYKGVSBICH-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(2-prop-2-enoxyethyl)azanium?
The IUPAC name of dimethyl-bis(2-prop-2-enoxyethyl)azanium (CID 87092033) is dimethyl-bis(2-prop-2-enoxyethyl)azanium.
What is the SMILES notation for dimethyl-bis(2-prop-2-enoxyethyl)azanium?
The canonical SMILES for dimethyl-bis(2-prop-2-enoxyethyl)azanium is C=CCOCC[N+](C)(C)CCOCC=C.
What is the InChIKey of dimethyl-bis(2-prop-2-enoxyethyl)azanium?
The InChIKey is WBMXBYKGVSBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-5-9-14-11-7-13(3,4)8-12-15-10-6-2/h5-6H,1-2,7-12H2,3-4H3/q+1.
What are the key properties of dimethyl-bis(2-prop-2-enoxyethyl)azanium?
dimethyl-bis(2-prop-2-enoxyethyl)azanium has a molecular weight of 214.33 g/mol, XLogP of 1.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(2-prop-2-enoxyethyl)azanium is sourced from PubChem (CID 87092033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).