2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

C16H27N3 — CID 114592477

IUPAC2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)CC(C)C2C)cn1
InChIInChI=1S/C16H27N3/c1-11-7-12(2)14(4)19(10-11)16(8-17)15-6-5-13(3)18-9-15/h5-6,9,11-12,14,16H,7-8,10,17H2,1-4H3
InChIKeyHGHGJRJULNPHAH-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.76
Rot. Bonds3

About 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine

2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (PubChem CID 114592477) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
PubChem CID114592477
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
SMILESCc1ccc(C(CN)N2CC(C)CC(C)C2C)cn1
InChIInChI=1S/C16H27N3/c1-11-7-12(2)14(4)19(10-11)16(8-17)15-6-5-13(3)18-9-15/h5-6,9,11-12,14,16H,7-8,10,17H2,1-4H3
InChIKeyHGHGJRJULNPHAH-UHFFFAOYSA-N
XLogP2.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine (CID 114592477) is 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is Cc1ccc(C(CN)N2CC(C)CC(C)C2C)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
The InChIKey is HGHGJRJULNPHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-11-7-12(2)14(4)19(10-11)16(8-17)15-6-5-13(3)18-9-15/h5-6,9,11-12,14,16H,7-8,10,17H2,1-4H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine?
2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 114592477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).