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

C12H30N2O+2 — CID 58581236

IUPAC2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCOC
InChIInChI=1S/C12H30N2O/c1-7-8-13(2,3)9-10-14(4,5)11-12-15-6/h7-12H2,1-6H3/q+2
InChIKeySFJOCFDJPHSDNV-UHFFFAOYSA-N
MW218.38 g/mol
LogP1.20
Rot. Bonds8

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

2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium (PubChem CID 58581236) has the molecular formula C12H30N2O+2 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium
PubChem CID58581236
Molecular FormulaC12H30N2O+2
Molecular Weight218.38 g/mol
Exact Mass218.23
IUPAC Name2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium
SMILESCCC[N+](C)(C)CC[N+](C)(C)CCOC
InChIInChI=1S/C12H30N2O/c1-7-8-13(2,3)9-10-14(4,5)11-12-15-6/h7-12H2,1-6H3/q+2
InChIKeySFJOCFDJPHSDNV-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-methoxyethyl)-dimethylazanium?
The IUPAC name of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium (CID 58581236) is 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium.
What is the SMILES notation for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium?
The canonical SMILES for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium is CCC[N+](C)(C)CC[N+](C)(C)CCOC.
What is the InChIKey of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium?
The InChIKey is SFJOCFDJPHSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O/c1-7-8-13(2,3)9-10-14(4,5)11-12-15-6/h7-12H2,1-6H3/q+2.
What are the key properties of 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium?
2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium has a molecular weight of 218.38 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(propyl)azaniumyl]ethyl-(2-methoxyethyl)-dimethylazanium is sourced from PubChem (CID 58581236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).