4-ethoxy-N-ethylpyrrolidin-3-amine

C8H18N2O — CID 19969868

IUPAC4-ethoxy-N-ethylpyrrolidin-3-amine
SMILESCCNC1CNCC1OCC
InChIInChI=1S/C8H18N2O/c1-3-10-7-5-9-6-8(7)11-4-2/h7-10H,3-6H2,1-2H3
InChIKeyNLJHVODVJKGZPM-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.03
Rot. Bonds4

About 4-ethoxy-N-ethylpyrrolidin-3-amine

4-ethoxy-N-ethylpyrrolidin-3-amine (PubChem CID 19969868) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-ethoxy-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethylpyrrolidin-3-amine
PubChem CID19969868
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name4-ethoxy-N-ethylpyrrolidin-3-amine
SMILESCCNC1CNCC1OCC
InChIInChI=1S/C8H18N2O/c1-3-10-7-5-9-6-8(7)11-4-2/h7-10H,3-6H2,1-2H3
InChIKeyNLJHVODVJKGZPM-UHFFFAOYSA-N
XLogP-0.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethylpyrrolidin-3-amine?
The IUPAC name of 4-ethoxy-N-ethylpyrrolidin-3-amine (CID 19969868) is 4-ethoxy-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethylpyrrolidin-3-amine?
The canonical SMILES for 4-ethoxy-N-ethylpyrrolidin-3-amine is CCNC1CNCC1OCC.
What is the InChIKey of 4-ethoxy-N-ethylpyrrolidin-3-amine?
The InChIKey is NLJHVODVJKGZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10-7-5-9-6-8(7)11-4-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-ethoxy-N-ethylpyrrolidin-3-amine?
4-ethoxy-N-ethylpyrrolidin-3-amine has a molecular weight of 158.25 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 19969868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).