2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine

C14H22N2 — CID 121450458

IUPAC2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
SMILESCc1ccc(C2CCCN2C(C)(C)C)nc1
InChIInChI=1S/C14H22N2/c1-11-7-8-12(15-10-11)13-6-5-9-16(13)14(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyYYDJPUOOHQVBQE-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.33
Rot. Bonds1

About 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine

2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine (PubChem CID 121450458) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine.

Molecular Properties

Compound Name2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
PubChem CID121450458
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
SMILESCc1ccc(C2CCCN2C(C)(C)C)nc1
InChIInChI=1S/C14H22N2/c1-11-7-8-12(15-10-11)13-6-5-9-16(13)14(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3
InChIKeyYYDJPUOOHQVBQE-UHFFFAOYSA-N
XLogP3.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine?
The IUPAC name of 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine (CID 121450458) is 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine.
What is the SMILES notation for 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine?
The canonical SMILES for 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine is Cc1ccc(C2CCCN2C(C)(C)C)nc1.
What is the InChIKey of 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine?
The InChIKey is YYDJPUOOHQVBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-7-8-12(15-10-11)13-6-5-9-16(13)14(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3.
What are the key properties of 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine?
2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine has a molecular weight of 218.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine is sourced from PubChem (CID 121450458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).