[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine

C17H29N3 — CID 107875205

IUPAC[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(c2ccc(C(C)(C)C)cn2)C(CN)C1
InChIInChI=1S/C17H29N3/c1-5-13-8-9-20(15(10-13)11-18)16-7-6-14(12-19-16)17(2,3)4/h6-7,12-13,15H,5,8-11,18H2,1-4H3
InChIKeySYTIPXVHXCHSQX-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.33
Rot. Bonds3

About [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine

[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine (PubChem CID 107875205) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine
PubChem CID107875205
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(c2ccc(C(C)(C)C)cn2)C(CN)C1
InChIInChI=1S/C17H29N3/c1-5-13-8-9-20(15(10-13)11-18)16-7-6-14(12-19-16)17(2,3)4/h6-7,12-13,15H,5,8-11,18H2,1-4H3
InChIKeySYTIPXVHXCHSQX-UHFFFAOYSA-N
XLogP3.33
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine (CID 107875205) is [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(c2ccc(C(C)(C)C)cn2)C(CN)C1.
What is the InChIKey of [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is SYTIPXVHXCHSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-13-8-9-20(15(10-13)11-18)16-7-6-14(12-19-16)17(2,3)4/h6-7,12-13,15H,5,8-11,18H2,1-4H3.
What are the key properties of [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine?
[1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 107875205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).