2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

C10H22N2O — CID 106025432

IUPAC2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCOCCNCC1CCCN1C
InChIInChI=1S/C10H22N2O/c1-3-13-8-6-11-9-10-5-4-7-12(10)2/h10-11H,3-9H2,1-2H3
InChIKeyGKQFDZXKRQESMZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds6

About 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 106025432) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID106025432
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCCOCCNCC1CCCN1C
InChIInChI=1S/C10H22N2O/c1-3-13-8-6-11-9-10-5-4-7-12(10)2/h10-11H,3-9H2,1-2H3
InChIKeyGKQFDZXKRQESMZ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
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-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 106025432) is 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is CCOCCNCC1CCCN1C.
What is the InChIKey of 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is GKQFDZXKRQESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-13-8-6-11-9-10-5-4-7-12(10)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 106025432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).