2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium

C12H28N2O2+2 — CID 118298722

IUPAC2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCOC=O
InChIInChI=1S/C12H28N2O2/c1-6-7-13(2,3)8-9-14(4,5)10-11-16-12-15/h12H,6-11H2,1-5H3/q+2
InChIKeyRAEHAAMKZJUXCZ-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.72
Rot. Bonds9

About 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium

2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium (PubChem CID 118298722) has the molecular formula C12H28N2O2+2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium
PubChem CID118298722
Molecular FormulaC12H28N2O2+2
Molecular Weight232.37 g/mol
Exact Mass232.21
IUPAC Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCOC=O
InChIInChI=1S/C12H28N2O2/c1-6-7-13(2,3)8-9-14(4,5)10-11-16-12-15/h12H,6-11H2,1-5H3/q+2
InChIKeyRAEHAAMKZJUXCZ-UHFFFAOYSA-N
XLogP0.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium?
The IUPAC name of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium (CID 118298722) is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium.
What is the SMILES notation for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium?
The canonical SMILES for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium is CCC[N+](C)(C)CC[N+](C)(C)CCOC=O.
What is the InChIKey of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium?
The InChIKey is RAEHAAMKZJUXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2/c1-6-7-13(2,3)8-9-14(4,5)10-11-16-12-15/h12H,6-11H2,1-5H3/q+2.
What are the key properties of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium?
2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium has a molecular weight of 232.37 g/mol, XLogP of 0.72, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-formyloxyethyl)-dimethylazanium is sourced from PubChem (CID 118298722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).