2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium

C14H26N2O2+2 — CID 2581897

IUPAC2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium
SMILESCCOc1ccc(OCCCC[NH2+]CC[NH3+])cc1
InChIInChI=1S/C14H24N2O2/c1-2-17-13-5-7-14(8-6-13)18-12-4-3-10-16-11-9-15/h5-8,16H,2-4,9-12,15H2,1H3/p+2
InChIKeyVFDRFEPWJXBCNM-UHFFFAOYSA-P
MW254.37 g/mol
LogP0.05
Rot. Bonds10

About 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium

2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium (PubChem CID 2581897) has the molecular formula C14H26N2O2+2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium.

Molecular Properties

Compound Name2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium
PubChem CID2581897
Molecular FormulaC14H26N2O2+2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium
SMILESCCOc1ccc(OCCCC[NH2+]CC[NH3+])cc1
InChIInChI=1S/C14H24N2O2/c1-2-17-13-5-7-14(8-6-13)18-12-4-3-10-16-11-9-15/h5-8,16H,2-4,9-12,15H2,1H3/p+2
InChIKeyVFDRFEPWJXBCNM-UHFFFAOYSA-P
XLogP0.05
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)ethyl-(3-methoxypropyl)azanium
CID 2300114
butyl-[6-(4-methylphenoxy)hexyl]azanium
CID 2248796
butyl-[4-(4-fluorophenoxy)butyl]azanium
CID 2249066
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
6-(4-bromophenoxy)hexyl-butylazanium
CID 2249695
2-azaniumylethyl-[4-(3-bromophenoxy)butyl]azanium
CID 2506295
4-(3-ethoxyphenoxy)butyl-(2-hydroxyethyl)azanium
CID 2582186
butyl-[5-(4-tert-butylphenoxy)pentyl]azanium
CID 2248472
1-(6-chlorohexoxy)-4-ethoxybenzene
CID 63498933
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
2-azaniumylethyl-[4-(4-tert-butyl-2-methylphenoxy)butyl]azanium
CID 2299424
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium?
The IUPAC name of 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium (CID 2581897) is 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium.
What is the SMILES notation for 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium?
The canonical SMILES for 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium is CCOc1ccc(OCCCC[NH2+]CC[NH3+])cc1.
What is the InChIKey of 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium?
The InChIKey is VFDRFEPWJXBCNM-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H24N2O2/c1-2-17-13-5-7-14(8-6-13)18-12-4-3-10-16-11-9-15/h5-8,16H,2-4,9-12,15H2,1H3/p+2.
What are the key properties of 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium?
2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium has a molecular weight of 254.37 g/mol, XLogP of 0.05, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumylethyl-[4-(4-ethoxyphenoxy)butyl]azanium is sourced from PubChem (CID 2581897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).