2-butan-2-yl-2,5-dimethyl-3H-pyridine

C11H19N — CID 91332411

IUPAC2-butan-2-yl-2,5-dimethyl-3H-pyridine
SMILESCCC(C)C1(C)CC=C(C)C=N1
InChIInChI=1S/C11H19N/c1-5-10(3)11(4)7-6-9(2)8-12-11/h6,8,10H,5,7H2,1-4H3
InChIKeyHUXSTEJCCACFCU-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds2

About 2-butan-2-yl-2,5-dimethyl-3H-pyridine

2-butan-2-yl-2,5-dimethyl-3H-pyridine (PubChem CID 91332411) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-butan-2-yl-2,5-dimethyl-3H-pyridine.

Molecular Properties

Compound Name2-butan-2-yl-2,5-dimethyl-3H-pyridine
PubChem CID91332411
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-butan-2-yl-2,5-dimethyl-3H-pyridine
SMILESCCC(C)C1(C)CC=C(C)C=N1
InChIInChI=1S/C11H19N/c1-5-10(3)11(4)7-6-9(2)8-12-11/h6,8,10H,5,7H2,1-4H3
InChIKeyHUXSTEJCCACFCU-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2,5-dimethyl-3H-pyridine?
The IUPAC name of 2-butan-2-yl-2,5-dimethyl-3H-pyridine (CID 91332411) is 2-butan-2-yl-2,5-dimethyl-3H-pyridine.
What is the SMILES notation for 2-butan-2-yl-2,5-dimethyl-3H-pyridine?
The canonical SMILES for 2-butan-2-yl-2,5-dimethyl-3H-pyridine is CCC(C)C1(C)CC=C(C)C=N1.
What is the InChIKey of 2-butan-2-yl-2,5-dimethyl-3H-pyridine?
The InChIKey is HUXSTEJCCACFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-5-10(3)11(4)7-6-9(2)8-12-11/h6,8,10H,5,7H2,1-4H3.
What are the key properties of 2-butan-2-yl-2,5-dimethyl-3H-pyridine?
2-butan-2-yl-2,5-dimethyl-3H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2,5-dimethyl-3H-pyridine is sourced from PubChem (CID 91332411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).