5-(3-methylbutyl)-2-propan-2-ylpyridine

C13H21N — CID 91120344

IUPAC5-(3-methylbutyl)-2-propan-2-ylpyridine
SMILESCC(C)CCc1ccc(C(C)C)nc1
InChIInChI=1S/C13H21N/c1-10(2)5-6-12-7-8-13(11(3)4)14-9-12/h7-11H,5-6H2,1-4H3
InChIKeyZZSBLWHUBRKJSH-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.79
Rot. Bonds4

About 5-(3-methylbutyl)-2-propan-2-ylpyridine

5-(3-methylbutyl)-2-propan-2-ylpyridine (PubChem CID 91120344) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 5-(3-methylbutyl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(3-methylbutyl)-2-propan-2-ylpyridine
PubChem CID91120344
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name5-(3-methylbutyl)-2-propan-2-ylpyridine
SMILESCC(C)CCc1ccc(C(C)C)nc1
InChIInChI=1S/C13H21N/c1-10(2)5-6-12-7-8-13(11(3)4)14-9-12/h7-11H,5-6H2,1-4H3
InChIKeyZZSBLWHUBRKJSH-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-2-propan-2-ylpyridine?
The IUPAC name of 5-(3-methylbutyl)-2-propan-2-ylpyridine (CID 91120344) is 5-(3-methylbutyl)-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(3-methylbutyl)-2-propan-2-ylpyridine?
The canonical SMILES for 5-(3-methylbutyl)-2-propan-2-ylpyridine is CC(C)CCc1ccc(C(C)C)nc1.
What is the InChIKey of 5-(3-methylbutyl)-2-propan-2-ylpyridine?
The InChIKey is ZZSBLWHUBRKJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)5-6-12-7-8-13(11(3)4)14-9-12/h7-11H,5-6H2,1-4H3.
What are the key properties of 5-(3-methylbutyl)-2-propan-2-ylpyridine?
5-(3-methylbutyl)-2-propan-2-ylpyridine has a molecular weight of 191.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-2-propan-2-ylpyridine is sourced from PubChem (CID 91120344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).