diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium

C13H32N2O+2 — CID 21119358

IUPACdiethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium
SMILESCC[N+](C)(CC)C(C)OC(C)C[N+](C)(C)C
InChIInChI=1S/C13H32N2O/c1-9-15(8,10-2)13(4)16-12(3)11-14(5,6)7/h12-13H,9-11H2,1-8H3/q+2
InChIKeyMTFPYWYXZNIGTE-UHFFFAOYSA-N
MW232.41 g/mol
LogP1.93
Rot. Bonds7

About diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium

diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium (PubChem CID 21119358) has the molecular formula C13H32N2O+2 and a molecular weight of 232.41 g/mol. Its IUPAC name is diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium.

Molecular Properties

Compound Namediethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium
PubChem CID21119358
Molecular FormulaC13H32N2O+2
Molecular Weight232.41 g/mol
Exact Mass232.25
IUPAC Namediethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium
SMILESCC[N+](C)(CC)C(C)OC(C)C[N+](C)(C)C
InChIInChI=1S/C13H32N2O/c1-9-15(8,10-2)13(4)16-12(3)11-14(5,6)7/h12-13H,9-11H2,1-8H3/q+2
InChIKeyMTFPYWYXZNIGTE-UHFFFAOYSA-N
XLogP1.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium?
The IUPAC name of diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium (CID 21119358) is diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium.
What is the SMILES notation for diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium?
The canonical SMILES for diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium is CC[N+](C)(CC)C(C)OC(C)C[N+](C)(C)C.
What is the InChIKey of diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium?
The InChIKey is MTFPYWYXZNIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N2O/c1-9-15(8,10-2)13(4)16-12(3)11-14(5,6)7/h12-13H,9-11H2,1-8H3/q+2.
What are the key properties of diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium?
diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium has a molecular weight of 232.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-[1-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium is sourced from PubChem (CID 21119358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).