N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine

C9H20N2O — CID 60683104

IUPACN-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESCOCCNCCN1CCCC1
InChIInChI=1S/C9H20N2O/c1-12-9-5-10-4-8-11-6-2-3-7-11/h10H,2-9H2,1H3
InChIKeyBBXYBBRRAFSTRF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds6

About N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine

N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 60683104) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
PubChem CID60683104
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
SMILESCOCCNCCN1CCCC1
InChIInChI=1S/C9H20N2O/c1-12-9-5-10-4-8-11-6-2-3-7-11/h10H,2-9H2,1H3
InChIKeyBBXYBBRRAFSTRF-UHFFFAOYSA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
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 N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine (CID 60683104) is N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine is COCCNCCN1CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is BBXYBBRRAFSTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-9-5-10-4-8-11-6-2-3-7-11/h10H,2-9H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine?
N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 60683104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).