1-tert-butyl-4H-pyridine

C9H15N — CID 58984381

IUPAC1-tert-butyl-4H-pyridine
SMILESCC(C)(C)N1C=CCC=C1
InChIInChI=1S/C9H15N/c1-9(2,3)10-7-5-4-6-8-10/h5-8H,4H2,1-3H3
InChIKeyXEOKVQNAKAVHIE-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.52
Rot. Bonds

About 1-tert-butyl-4H-pyridine

1-tert-butyl-4H-pyridine (PubChem CID 58984381) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-tert-butyl-4H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-4H-pyridine
PubChem CID58984381
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-tert-butyl-4H-pyridine
SMILESCC(C)(C)N1C=CCC=C1
InChIInChI=1S/C9H15N/c1-9(2,3)10-7-5-4-6-8-10/h5-8H,4H2,1-3H3
InChIKeyXEOKVQNAKAVHIE-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4H-pyridine?
The IUPAC name of 1-tert-butyl-4H-pyridine (CID 58984381) is 1-tert-butyl-4H-pyridine.
What is the SMILES notation for 1-tert-butyl-4H-pyridine?
The canonical SMILES for 1-tert-butyl-4H-pyridine is CC(C)(C)N1C=CCC=C1.
What is the InChIKey of 1-tert-butyl-4H-pyridine?
The InChIKey is XEOKVQNAKAVHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-9(2,3)10-7-5-4-6-8-10/h5-8H,4H2,1-3H3.
What are the key properties of 1-tert-butyl-4H-pyridine?
1-tert-butyl-4H-pyridine has a molecular weight of 137.23 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4H-pyridine is sourced from PubChem (CID 58984381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).