2-(3,5-dimethylpiperidin-1-yl)ethanamine

C9H20N2 — CID 6484177

IUPAC2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(CCN)C1
InChIInChI=1S/C9H20N2/c1-8-5-9(2)7-11(6-8)4-3-10/h8-9H,3-7,10H2,1-2H3
InChIKeyGQSWLZPKSPRYJI-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.92
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)ethanamine

2-(3,5-dimethylpiperidin-1-yl)ethanamine (PubChem CID 6484177) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)ethanamine
PubChem CID6484177
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)ethanamine
SMILESCC1CC(C)CN(CCN)C1
InChIInChI=1S/C9H20N2/c1-8-5-9(2)7-11(6-8)4-3-10/h8-9H,3-7,10H2,1-2H3
InChIKeyGQSWLZPKSPRYJI-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)ethanamine (CID 6484177) is 2-(3,5-dimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)ethanamine is CC1CC(C)CN(CCN)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)ethanamine?
The InChIKey is GQSWLZPKSPRYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-8-5-9(2)7-11(6-8)4-3-10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)ethanamine?
2-(3,5-dimethylpiperidin-1-yl)ethanamine has a molecular weight of 156.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 6484177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).