2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride

C11H26Cl2N2O2 — CID 11323710

IUPAC2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride
SMILESC[N+]1(CCOCCOCCN)CCCC1.Cl.[Cl-]
InChIInChI=1S/C11H25N2O2.2ClH/c1-13(5-2-3-6-13)7-9-15-11-10-14-8-4-12;;/h2-12H2,1H3;2*1H/q+1;;/p-1
InChIKeyUICJOJRMIKPVSM-UHFFFAOYSA-M
MW289.25 g/mol
LogP-2.36
Rot. Bonds8

About 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride

2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride (PubChem CID 11323710) has the molecular formula C11H26Cl2N2O2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride
PubChem CID11323710
Molecular FormulaC11H26Cl2N2O2
Molecular Weight289.25 g/mol
Exact Mass288.14
IUPAC Name2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride
SMILESC[N+]1(CCOCCOCCN)CCCC1.Cl.[Cl-]
InChIInChI=1S/C11H25N2O2.2ClH/c1-13(5-2-3-6-13)7-9-15-11-10-14-8-4-12;;/h2-12H2,1H3;2*1H/q+1;;/p-1
InChIKeyUICJOJRMIKPVSM-UHFFFAOYSA-M
XLogP-2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 5-2.36
H-Bond Donors ≤ 51
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-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride?
The IUPAC name of 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride (CID 11323710) is 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride.
What is the SMILES notation for 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride?
The canonical SMILES for 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride is C[N+]1(CCOCCOCCN)CCCC1.Cl.[Cl-].
What is the InChIKey of 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride?
The InChIKey is UICJOJRMIKPVSM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H25N2O2.2ClH/c1-13(5-2-3-6-13)7-9-15-11-10-14-8-4-12;;/h2-12H2,1H3;2*1H/q+1;;/p-1.
What are the key properties of 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride?
2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride has a molecular weight of 289.25 g/mol, XLogP of -2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride is sourced from PubChem (CID 11323710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).