2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium

C15H35N2O2+ — CID 90995144

IUPAC2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium
SMILESCC(C)N(CCOCCOCC[N+](C)(C)C)C(C)C
InChIInChI=1S/C15H35N2O2/c1-14(2)16(15(3)4)8-10-18-12-13-19-11-9-17(5,6)7/h14-15H,8-13H2,1-7H3/q+1
InChIKeyFSSPUONZLIOZQT-UHFFFAOYSA-N
MW275.46 g/mol
LogP1.84
Rot. Bonds11

About 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium

2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium (PubChem CID 90995144) has the molecular formula C15H35N2O2+ and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium.

Molecular Properties

Compound Name2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium
PubChem CID90995144
Molecular FormulaC15H35N2O2+
Molecular Weight275.46 g/mol
Exact Mass275.27
IUPAC Name2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium
SMILESCC(C)N(CCOCCOCC[N+](C)(C)C)C(C)C
InChIInChI=1S/C15H35N2O2/c1-14(2)16(15(3)4)8-10-18-12-13-19-11-9-17(5,6)7/h14-15H,8-13H2,1-7H3/q+1
InChIKeyFSSPUONZLIOZQT-UHFFFAOYSA-N
XLogP1.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium?
The IUPAC name of 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium (CID 90995144) is 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium.
What is the SMILES notation for 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium?
The canonical SMILES for 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium is CC(C)N(CCOCCOCC[N+](C)(C)C)C(C)C.
What is the InChIKey of 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium?
The InChIKey is FSSPUONZLIOZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N2O2/c1-14(2)16(15(3)4)8-10-18-12-13-19-11-9-17(5,6)7/h14-15H,8-13H2,1-7H3/q+1.
What are the key properties of 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium?
2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium has a molecular weight of 275.46 g/mol, XLogP of 1.84, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[di(propan-2-yl)amino]ethoxy]ethoxy]ethyl-trimethylazanium is sourced from PubChem (CID 90995144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).