2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine

C14H28N2 — CID 79862196

IUPAC2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine
SMILESCC1(C)CCCC1N1CCCC(CCN)C1
InChIInChI=1S/C14H28N2/c1-14(2)8-3-6-13(14)16-10-4-5-12(11-16)7-9-15/h12-13H,3-11,15H2,1-2H3
InChIKeyPMKKPKJOTOUFKU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.63
Rot. Bonds3

About 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine

2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine (PubChem CID 79862196) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine
PubChem CID79862196
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine
SMILESCC1(C)CCCC1N1CCCC(CCN)C1
InChIInChI=1S/C14H28N2/c1-14(2)8-3-6-13(14)16-10-4-5-12(11-16)7-9-15/h12-13H,3-11,15H2,1-2H3
InChIKeyPMKKPKJOTOUFKU-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine (CID 79862196) is 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine is CC1(C)CCCC1N1CCCC(CCN)C1.
What is the InChIKey of 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine?
The InChIKey is PMKKPKJOTOUFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-14(2)8-3-6-13(14)16-10-4-5-12(11-16)7-9-15/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine?
2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine has a molecular weight of 224.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylcyclopentyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 79862196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).