2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine

C9H20N2 — CID 97297925

IUPAC2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine
SMILESCC[C@@H]1CC[C@@H](CCN)NC1
InChIInChI=1S/C9H20N2/c1-2-8-3-4-9(5-6-10)11-7-8/h8-9,11H,2-7,10H2,1H3/t8-,9+/m1/s1
InChIKeyAXUPYWXAAIMZAZ-BDAKNGLRSA-N
MW156.27 g/mol
LogP1.11
Rot. Bonds3

About 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine

2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine (PubChem CID 97297925) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine
PubChem CID97297925
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine
SMILESCC[C@@H]1CC[C@@H](CCN)NC1
InChIInChI=1S/C9H20N2/c1-2-8-3-4-9(5-6-10)11-7-8/h8-9,11H,2-7,10H2,1H3/t8-,9+/m1/s1
InChIKeyAXUPYWXAAIMZAZ-BDAKNGLRSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine?
The IUPAC name of 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine (CID 97297925) is 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine is CC[C@@H]1CC[C@@H](CCN)NC1.
What is the InChIKey of 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine?
The InChIKey is AXUPYWXAAIMZAZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-8-3-4-9(5-6-10)11-7-8/h8-9,11H,2-7,10H2,1H3/t8-,9+/m1/s1.
What are the key properties of 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine?
2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine has a molecular weight of 156.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-ethylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 97297925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).