4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium

C20H42N2O3+2 — CID 118941090

IUPAC4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium
SMILESCC[N+]1(CCCCOCCCC[N+]2(CC)CCOCC2)CCOCC1
InChIInChI=1S/C20H42N2O3/c1-3-21(11-17-24-18-12-21)9-5-7-15-23-16-8-6-10-22(4-2)13-19-25-20-14-22/h3-20H2,1-2H3/q+2
InChIKeyOSIWRGZMJCHSBX-UHFFFAOYSA-N
MW358.57 g/mol
LogP2.30
Rot. Bonds12

About 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium

4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium (PubChem CID 118941090) has the molecular formula C20H42N2O3+2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium.

Molecular Properties

Compound Name4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium
PubChem CID118941090
Molecular FormulaC20H42N2O3+2
Molecular Weight358.57 g/mol
Exact Mass358.32
IUPAC Name4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium
SMILESCC[N+]1(CCCCOCCCC[N+]2(CC)CCOCC2)CCOCC1
InChIInChI=1S/C20H42N2O3/c1-3-21(11-17-24-18-12-21)9-5-7-15-23-16-8-6-10-22(4-2)13-19-25-20-14-22/h3-20H2,1-2H3/q+2
InChIKeyOSIWRGZMJCHSBX-UHFFFAOYSA-N
XLogP2.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.57
LogP ≤ 52.30
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 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium?
The IUPAC name of 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium (CID 118941090) is 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium.
What is the SMILES notation for 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium?
The canonical SMILES for 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium is CC[N+]1(CCCCOCCCC[N+]2(CC)CCOCC2)CCOCC1.
What is the InChIKey of 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium?
The InChIKey is OSIWRGZMJCHSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O3/c1-3-21(11-17-24-18-12-21)9-5-7-15-23-16-8-6-10-22(4-2)13-19-25-20-14-22/h3-20H2,1-2H3/q+2.
What are the key properties of 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium?
4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium has a molecular weight of 358.57 g/mol, XLogP of 2.30, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-[4-[4-(4-ethylmorpholin-4-ium-4-yl)butoxy]butyl]morpholin-4-ium is sourced from PubChem (CID 118941090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).