2-pentan-2-yl-3-propan-2-ylpyridine

C13H21N — CID 155486125

IUPAC2-pentan-2-yl-3-propan-2-ylpyridine
SMILESCCCC(C)c1ncccc1C(C)C
InChIInChI=1S/C13H21N/c1-5-7-11(4)13-12(10(2)3)8-6-9-14-13/h6,8-11H,5,7H2,1-4H3
InChIKeySTHPWUYUQDEWKN-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.11
Rot. Bonds4

About 2-pentan-2-yl-3-propan-2-ylpyridine

2-pentan-2-yl-3-propan-2-ylpyridine (PubChem CID 155486125) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-pentan-2-yl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-pentan-2-yl-3-propan-2-ylpyridine
PubChem CID155486125
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-pentan-2-yl-3-propan-2-ylpyridine
SMILESCCCC(C)c1ncccc1C(C)C
InChIInChI=1S/C13H21N/c1-5-7-11(4)13-12(10(2)3)8-6-9-14-13/h6,8-11H,5,7H2,1-4H3
InChIKeySTHPWUYUQDEWKN-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-3-propan-2-ylpyridine?
The IUPAC name of 2-pentan-2-yl-3-propan-2-ylpyridine (CID 155486125) is 2-pentan-2-yl-3-propan-2-ylpyridine.
What is the SMILES notation for 2-pentan-2-yl-3-propan-2-ylpyridine?
The canonical SMILES for 2-pentan-2-yl-3-propan-2-ylpyridine is CCCC(C)c1ncccc1C(C)C.
What is the InChIKey of 2-pentan-2-yl-3-propan-2-ylpyridine?
The InChIKey is STHPWUYUQDEWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-7-11(4)13-12(10(2)3)8-6-9-14-13/h6,8-11H,5,7H2,1-4H3.
What are the key properties of 2-pentan-2-yl-3-propan-2-ylpyridine?
2-pentan-2-yl-3-propan-2-ylpyridine has a molecular weight of 191.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-3-propan-2-ylpyridine is sourced from PubChem (CID 155486125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).