1-butyl-3,5-dimethyl-2H-pyridine

C11H19N — CID 141135275

IUPAC1-butyl-3,5-dimethyl-2H-pyridine
SMILESCCCCN1C=C(C)C=C(C)C1
InChIInChI=1S/C11H19N/c1-4-5-6-12-8-10(2)7-11(3)9-12/h7-8H,4-6,9H2,1-3H3
InChIKeyVTQIDSRSDFEZTR-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.95
Rot. Bonds3

About 1-butyl-3,5-dimethyl-2H-pyridine

1-butyl-3,5-dimethyl-2H-pyridine (PubChem CID 141135275) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-butyl-3,5-dimethyl-2H-pyridine.

Molecular Properties

Compound Name1-butyl-3,5-dimethyl-2H-pyridine
PubChem CID141135275
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-butyl-3,5-dimethyl-2H-pyridine
SMILESCCCCN1C=C(C)C=C(C)C1
InChIInChI=1S/C11H19N/c1-4-5-6-12-8-10(2)7-11(3)9-12/h7-8H,4-6,9H2,1-3H3
InChIKeyVTQIDSRSDFEZTR-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,5-dimethyl-2H-pyridine?
The IUPAC name of 1-butyl-3,5-dimethyl-2H-pyridine (CID 141135275) is 1-butyl-3,5-dimethyl-2H-pyridine.
What is the SMILES notation for 1-butyl-3,5-dimethyl-2H-pyridine?
The canonical SMILES for 1-butyl-3,5-dimethyl-2H-pyridine is CCCCN1C=C(C)C=C(C)C1.
What is the InChIKey of 1-butyl-3,5-dimethyl-2H-pyridine?
The InChIKey is VTQIDSRSDFEZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-4-5-6-12-8-10(2)7-11(3)9-12/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 1-butyl-3,5-dimethyl-2H-pyridine?
1-butyl-3,5-dimethyl-2H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,5-dimethyl-2H-pyridine is sourced from PubChem (CID 141135275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).