2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine

C12H19N3O — CID 54675477

IUPAC2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine
SMILESCN1CCC[C@H]1c1cccnc1OCCN
InChIInChI=1S/C12H19N3O/c1-15-8-3-5-11(15)10-4-2-7-14-12(10)16-9-6-13/h2,4,7,11H,3,5-6,8-9,13H2,1H3/t11-/m0/s1
InChIKeyXMTYTEMUVSYUIG-NSHDSACASA-N
MW221.30 g/mol
LogP1.19
Rot. Bonds4

About 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine

2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine (PubChem CID 54675477) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine
PubChem CID54675477
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine
SMILESCN1CCC[C@H]1c1cccnc1OCCN
InChIInChI=1S/C12H19N3O/c1-15-8-3-5-11(15)10-4-2-7-14-12(10)16-9-6-13/h2,4,7,11H,3,5-6,8-9,13H2,1H3/t11-/m0/s1
InChIKeyXMTYTEMUVSYUIG-NSHDSACASA-N
XLogP1.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine (CID 54675477) is 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine is CN1CCC[C@H]1c1cccnc1OCCN.
What is the InChIKey of 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine?
The InChIKey is XMTYTEMUVSYUIG-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-8-3-5-11(15)10-4-2-7-14-12(10)16-9-6-13/h2,4,7,11H,3,5-6,8-9,13H2,1H3/t11-/m0/s1.
What are the key properties of 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine?
2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2S)-1-methylpyrrolidin-2-yl]-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 54675477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).