1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine

C13H21N3O — CID 56783538

IUPAC1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(NCc2cccnc2)C1
InChIInChI=1S/C13H21N3O/c1-17-8-7-16-6-4-13(11-16)15-10-12-3-2-5-14-9-12/h2-3,5,9,13,15H,4,6-8,10-11H2,1H3
InChIKeyIDXRJYLEFMVLBG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.89
Rot. Bonds6

About 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine

1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine (PubChem CID 56783538) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
PubChem CID56783538
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(NCc2cccnc2)C1
InChIInChI=1S/C13H21N3O/c1-17-8-7-16-6-4-13(11-16)15-10-12-3-2-5-14-9-12/h2-3,5,9,13,15H,4,6-8,10-11H2,1H3
InChIKeyIDXRJYLEFMVLBG-UHFFFAOYSA-N
XLogP0.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine (CID 56783538) is 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine is COCCN1CCC(NCc2cccnc2)C1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
The InChIKey is IDXRJYLEFMVLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-8-7-16-6-4-13(11-16)15-10-12-3-2-5-14-9-12/h2-3,5,9,13,15H,4,6-8,10-11H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine?
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine has a molecular weight of 235.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 56783538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).