2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine

C9H20N2 — CID 783702

IUPAC2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine
SMILESC[C@@H]1CCC[C@H](C)N1CCN
InChIInChI=1S/C9H20N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-7,10H2,1-2H3/t8-,9+
InChIKeyDQQHMRVHTMHDGE-DTORHVGOSA-N
MW156.27 g/mol
LogP1.21
Rot. Bonds2

About 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine (PubChem CID 783702) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine
PubChem CID783702
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine
SMILESC[C@@H]1CCC[C@H](C)N1CCN
InChIInChI=1S/C9H20N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-7,10H2,1-2H3/t8-,9+
InChIKeyDQQHMRVHTMHDGE-DTORHVGOSA-N
XLogP1.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine (CID 783702) is 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine is C[C@@H]1CCC[C@H](C)N1CCN.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine?
The InChIKey is DQQHMRVHTMHDGE-DTORHVGOSA-N. The full InChI is InChI=1S/C9H20N2/c1-8-4-3-5-9(2)11(8)7-6-10/h8-9H,3-7,10H2,1-2H3/t8-,9+.
What are the key properties of 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine?
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine has a molecular weight of 156.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanamine is sourced from PubChem (CID 783702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).