2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine

C12H19N3 — CID 114802391

IUPAC2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(N2CCC(CCN)C2)nc1
InChIInChI=1S/C12H19N3/c1-10-2-3-12(14-8-10)15-7-5-11(9-15)4-6-13/h2-3,8,11H,4-7,9,13H2,1H3
InChIKeyJGYNMBSYANXEDW-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.57
Rot. Bonds3

About 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine

2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine (PubChem CID 114802391) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
PubChem CID114802391
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
SMILESCc1ccc(N2CCC(CCN)C2)nc1
InChIInChI=1S/C12H19N3/c1-10-2-3-12(14-8-10)15-7-5-11(9-15)4-6-13/h2-3,8,11H,4-7,9,13H2,1H3
InChIKeyJGYNMBSYANXEDW-UHFFFAOYSA-N
XLogP1.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine (CID 114802391) is 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine is Cc1ccc(N2CCC(CCN)C2)nc1.
What is the InChIKey of 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is JGYNMBSYANXEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-2-3-12(14-8-10)15-7-5-11(9-15)4-6-13/h2-3,8,11H,4-7,9,13H2,1H3.
What are the key properties of 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine?
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).