2-(2-pyrrolidin-1-ylethoxy)ethanamine

C8H18N2O — CID 10080641

IUPAC2-(2-pyrrolidin-1-ylethoxy)ethanamine
SMILESNCCOCCN1CCCC1
InChIInChI=1S/C8H18N2O/c9-3-7-11-8-6-10-4-1-2-5-10/h1-9H2
InChIKeyAUDLLYZCECVNGJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.06
Rot. Bonds5

About 2-(2-pyrrolidin-1-ylethoxy)ethanamine

2-(2-pyrrolidin-1-ylethoxy)ethanamine (PubChem CID 10080641) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethoxy)ethanamine
PubChem CID10080641
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-(2-pyrrolidin-1-ylethoxy)ethanamine
SMILESNCCOCCN1CCCC1
InChIInChI=1S/C8H18N2O/c9-3-7-11-8-6-10-4-1-2-5-10/h1-9H2
InChIKeyAUDLLYZCECVNGJ-UHFFFAOYSA-N
XLogP0.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.06
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-pyrrolidin-1-ylethoxy)ethanamine?
The IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)ethanamine (CID 10080641) is 2-(2-pyrrolidin-1-ylethoxy)ethanamine.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethoxy)ethanamine?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethoxy)ethanamine is NCCOCCN1CCCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethoxy)ethanamine?
The InChIKey is AUDLLYZCECVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-3-7-11-8-6-10-4-1-2-5-10/h1-9H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethoxy)ethanamine?
2-(2-pyrrolidin-1-ylethoxy)ethanamine has a molecular weight of 158.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethoxy)ethanamine is sourced from PubChem (CID 10080641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).