(2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine

C14H23N3O — CID 71051369

IUPAC(2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine
SMILESCCc1cncc(OC[C@@H](N)CN2CCCC2)c1
InChIInChI=1S/C14H23N3O/c1-2-12-7-14(9-16-8-12)18-11-13(15)10-17-5-3-4-6-17/h7-9,13H,2-6,10-11,15H2,1H3/t13-/m0/s1
InChIKeyLTCSVNKICIZDLL-ZDUSSCGKSA-N
MW249.36 g/mol
LogP1.45
Rot. Bonds6

About (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine

(2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine (PubChem CID 71051369) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine
PubChem CID71051369
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine
SMILESCCc1cncc(OC[C@@H](N)CN2CCCC2)c1
InChIInChI=1S/C14H23N3O/c1-2-12-7-14(9-16-8-12)18-11-13(15)10-17-5-3-4-6-17/h7-9,13H,2-6,10-11,15H2,1H3/t13-/m0/s1
InChIKeyLTCSVNKICIZDLL-ZDUSSCGKSA-N
XLogP1.45
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine (CID 71051369) is (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine is CCc1cncc(OC[C@@H](N)CN2CCCC2)c1.
What is the InChIKey of (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is LTCSVNKICIZDLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-12-7-14(9-16-8-12)18-11-13(15)10-17-5-3-4-6-17/h7-9,13H,2-6,10-11,15H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine?
(2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-ethyl-3-pyridinyl)oxy]-3-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 71051369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).