(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine

C12H19N3 — CID 178196697

IUPAC(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1ccccn1
InChIInChI=1S/C12H19N3/c1-2-8-15-9-6-10(13)12(15)11-5-3-4-7-14-11/h3-5,7,10,12H,2,6,8-9,13H2,1H3/t10-,12-/m0/s1
InChIKeyJIIYTFXGEPVPQK-JQWIXIFHSA-N
MW205.31 g/mol
LogP1.57
Rot. Bonds3

About (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine

(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine (PubChem CID 178196697) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
PubChem CID178196697
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
SMILESCCCN1CC[C@H](N)[C@H]1c1ccccn1
InChIInChI=1S/C12H19N3/c1-2-8-15-9-6-10(13)12(15)11-5-3-4-7-14-11/h3-5,7,10,12H,2,6,8-9,13H2,1H3/t10-,12-/m0/s1
InChIKeyJIIYTFXGEPVPQK-JQWIXIFHSA-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 (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine?
The IUPAC name of (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine (CID 178196697) is (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine is CCCN1CC[C@H](N)[C@H]1c1ccccn1.
What is the InChIKey of (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine?
The InChIKey is JIIYTFXGEPVPQK-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-8-15-9-6-10(13)12(15)11-5-3-4-7-14-11/h3-5,7,10,12H,2,6,8-9,13H2,1H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine?
(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine 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 (2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 178196697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).