2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

C13H26N2O — CID 79568733

IUPAC2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(COC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H26N2O/c1-14-12(11-16-2)13(7-3-4-8-13)15-9-5-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyORVYTNBXAWGJCF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine

2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (PubChem CID 79568733) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
PubChem CID79568733
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
SMILESCNC(COC)C1(N2CCCC2)CCCC1
InChIInChI=1S/C13H26N2O/c1-14-12(11-16-2)13(7-3-4-8-13)15-9-5-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyORVYTNBXAWGJCF-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine (CID 79568733) is 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is CNC(COC)C1(N2CCCC2)CCCC1.
What is the InChIKey of 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
The InChIKey is ORVYTNBXAWGJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-12(11-16-2)13(7-3-4-8-13)15-9-5-6-10-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine?
2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine is sourced from PubChem (CID 79568733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).