1-tert-butyl-5-methyl-2H-pyridine

C10H17N — CID 23055570

IUPAC1-tert-butyl-5-methyl-2H-pyridine
SMILESCC1=CN(C(C)(C)C)CC=C1
InChIInChI=1S/C10H17N/c1-9-6-5-7-11(8-9)10(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyXOQGVQKOKVJFQC-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds

About 1-tert-butyl-5-methyl-2H-pyridine

1-tert-butyl-5-methyl-2H-pyridine (PubChem CID 23055570) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-2H-pyridine
PubChem CID23055570
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-tert-butyl-5-methyl-2H-pyridine
SMILESCC1=CN(C(C)(C)C)CC=C1
InChIInChI=1S/C10H17N/c1-9-6-5-7-11(8-9)10(2,3)4/h5-6,8H,7H2,1-4H3
InChIKeyXOQGVQKOKVJFQC-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-2H-pyridine?
The IUPAC name of 1-tert-butyl-5-methyl-2H-pyridine (CID 23055570) is 1-tert-butyl-5-methyl-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-5-methyl-2H-pyridine?
The canonical SMILES for 1-tert-butyl-5-methyl-2H-pyridine is CC1=CN(C(C)(C)C)CC=C1.
What is the InChIKey of 1-tert-butyl-5-methyl-2H-pyridine?
The InChIKey is XOQGVQKOKVJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9-6-5-7-11(8-9)10(2,3)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 1-tert-butyl-5-methyl-2H-pyridine?
1-tert-butyl-5-methyl-2H-pyridine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-2H-pyridine is sourced from PubChem (CID 23055570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).