2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium

C10H25N2O2+ — CID 59289432

IUPAC2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium
SMILESCC(C)(C)NCCOCCOCC[NH3+]
InChIInChI=1S/C10H24N2O2/c1-10(2,3)12-5-7-14-9-8-13-6-4-11/h12H,4-9,11H2,1-3H3/p+1
InChIKeyJJGVCNCWFPSVPR-UHFFFAOYSA-O
MW205.32 g/mol
LogP-0.35
Rot. Bonds8

About 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium

2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium (PubChem CID 59289432) has the molecular formula C10H25N2O2+ and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium.

Molecular Properties

Compound Name2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium
PubChem CID59289432
Molecular FormulaC10H25N2O2+
Molecular Weight205.32 g/mol
Exact Mass205.19
IUPAC Name2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium
SMILESCC(C)(C)NCCOCCOCC[NH3+]
InChIInChI=1S/C10H24N2O2/c1-10(2,3)12-5-7-14-9-8-13-6-4-11/h12H,4-9,11H2,1-3H3/p+1
InChIKeyJJGVCNCWFPSVPR-UHFFFAOYSA-O
XLogP-0.35
TPSA58.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium?
The IUPAC name of 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium (CID 59289432) is 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium.
What is the SMILES notation for 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium?
The canonical SMILES for 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium is CC(C)(C)NCCOCCOCC[NH3+].
What is the InChIKey of 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium?
The InChIKey is JJGVCNCWFPSVPR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H24N2O2/c1-10(2,3)12-5-7-14-9-8-13-6-4-11/h12H,4-9,11H2,1-3H3/p+1.
What are the key properties of 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium?
2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium has a molecular weight of 205.32 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethylazanium is sourced from PubChem (CID 59289432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).