2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine

C12H26N2 — CID 4005925

IUPAC2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine
SMILESCN1C(C)(C)CC(CCN)CC1(C)C
InChIInChI=1S/C12H26N2/c1-11(2)8-10(6-7-13)9-12(3,4)14(11)5/h10H,6-9,13H2,1-5H3
InChIKeyXVFYPRYHWRQDBY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds2

About 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine

2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine (PubChem CID 4005925) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine
PubChem CID4005925
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine
SMILESCN1C(C)(C)CC(CCN)CC1(C)C
InChIInChI=1S/C12H26N2/c1-11(2)8-10(6-7-13)9-12(3,4)14(11)5/h10H,6-9,13H2,1-5H3
InChIKeyXVFYPRYHWRQDBY-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine (CID 4005925) is 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine is CN1C(C)(C)CC(CCN)CC1(C)C.
What is the InChIKey of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine?
The InChIKey is XVFYPRYHWRQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(2)8-10(6-7-13)9-12(3,4)14(11)5/h10H,6-9,13H2,1-5H3.
What are the key properties of 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine?
2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,6,6-pentamethylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 4005925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).