2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine

C11H24N2O — CID 83218882

IUPAC2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
SMILESCCC1CCC(C)N1CCOCCN
InChIInChI=1S/C11H24N2O/c1-3-11-5-4-10(2)13(11)7-9-14-8-6-12/h10-11H,3-9,12H2,1-2H3
InChIKeyNCTYCWHIQAYBIX-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds6

About 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine

2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine (PubChem CID 83218882) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
PubChem CID83218882
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
SMILESCCC1CCC(C)N1CCOCCN
InChIInChI=1S/C11H24N2O/c1-3-11-5-4-10(2)13(11)7-9-14-8-6-12/h10-11H,3-9,12H2,1-2H3
InChIKeyNCTYCWHIQAYBIX-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
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-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine (CID 83218882) is 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine is CCC1CCC(C)N1CCOCCN.
What is the InChIKey of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine?
The InChIKey is NCTYCWHIQAYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-11-5-4-10(2)13(11)7-9-14-8-6-12/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine?
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 83218882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).