3-ethoxypyrrolidine;N-methylmethanamine

C8H20N2O — CID 21333171

IUPAC3-ethoxypyrrolidine;N-methylmethanamine
SMILESCCOC1CCNC1.CNC
InChIInChI=1S/C6H13NO.C2H7N/c1-2-8-6-3-4-7-5-6;1-3-2/h6-7H,2-5H2,1H3;3H,1-2H3
InChIKeyHAALLHWGGVNZAV-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.22
Rot. Bonds2

About 3-ethoxypyrrolidine;N-methylmethanamine

3-ethoxypyrrolidine;N-methylmethanamine (PubChem CID 21333171) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethoxypyrrolidine;N-methylmethanamine.

Molecular Properties

Compound Name3-ethoxypyrrolidine;N-methylmethanamine
PubChem CID21333171
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name3-ethoxypyrrolidine;N-methylmethanamine
SMILESCCOC1CCNC1.CNC
InChIInChI=1S/C6H13NO.C2H7N/c1-2-8-6-3-4-7-5-6;1-3-2/h6-7H,2-5H2,1H3;3H,1-2H3
InChIKeyHAALLHWGGVNZAV-UHFFFAOYSA-N
XLogP0.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxypyrrolidine;N-methylmethanamine?
The IUPAC name of 3-ethoxypyrrolidine;N-methylmethanamine (CID 21333171) is 3-ethoxypyrrolidine;N-methylmethanamine.
What is the SMILES notation for 3-ethoxypyrrolidine;N-methylmethanamine?
The canonical SMILES for 3-ethoxypyrrolidine;N-methylmethanamine is CCOC1CCNC1.CNC.
What is the InChIKey of 3-ethoxypyrrolidine;N-methylmethanamine?
The InChIKey is HAALLHWGGVNZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H7N/c1-2-8-6-3-4-7-5-6;1-3-2/h6-7H,2-5H2,1H3;3H,1-2H3.
What are the key properties of 3-ethoxypyrrolidine;N-methylmethanamine?
3-ethoxypyrrolidine;N-methylmethanamine has a molecular weight of 160.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypyrrolidine;N-methylmethanamine is sourced from PubChem (CID 21333171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).