dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium

C12H24NO2+ — CID 154630770

IUPACdimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium
SMILESC=CCOC[N+](C)(C)C(CC)OCC=C
InChIInChI=1S/C12H24NO2/c1-6-9-14-11-13(4,5)12(8-3)15-10-7-2/h6-7,12H,1-2,8-11H2,3-5H3/q+1
InChIKeyDPXOVRVQJVTLEM-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.16
Rot. Bonds9

About dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium

dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium (PubChem CID 154630770) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium.

Molecular Properties

Compound Namedimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium
PubChem CID154630770
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Namedimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium
SMILESC=CCOC[N+](C)(C)C(CC)OCC=C
InChIInChI=1S/C12H24NO2/c1-6-9-14-11-13(4,5)12(8-3)15-10-7-2/h6-7,12H,1-2,8-11H2,3-5H3/q+1
InChIKeyDPXOVRVQJVTLEM-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium?
The IUPAC name of dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium (CID 154630770) is dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium.
What is the SMILES notation for dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium?
The canonical SMILES for dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium is C=CCOC[N+](C)(C)C(CC)OCC=C.
What is the InChIKey of dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium?
The InChIKey is DPXOVRVQJVTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-6-9-14-11-13(4,5)12(8-3)15-10-7-2/h6-7,12H,1-2,8-11H2,3-5H3/q+1.
What are the key properties of dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium?
dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium has a molecular weight of 214.33 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(prop-2-enoxymethyl)-(1-prop-2-enoxypropyl)azanium is sourced from PubChem (CID 154630770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).