4,4-dimethyl-1H-pyridine

C7H11N — CID 55287127

IUPAC4,4-dimethyl-1H-pyridine
SMILESCC1(C)C=CNC=C1
InChIInChI=1S/C7H11N/c1-7(2)3-5-8-6-4-7/h3-6,8H,1-2H3
InChIKeyFQLQJRHAQKNKKN-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.64
Rot. Bonds

About 4,4-dimethyl-1H-pyridine

4,4-dimethyl-1H-pyridine (PubChem CID 55287127) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4,4-dimethyl-1H-pyridine.

Molecular Properties

Compound Name4,4-dimethyl-1H-pyridine
PubChem CID55287127
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4,4-dimethyl-1H-pyridine
SMILESCC1(C)C=CNC=C1
InChIInChI=1S/C7H11N/c1-7(2)3-5-8-6-4-7/h3-6,8H,1-2H3
InChIKeyFQLQJRHAQKNKKN-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1H-pyridine?
The IUPAC name of 4,4-dimethyl-1H-pyridine (CID 55287127) is 4,4-dimethyl-1H-pyridine.
What is the SMILES notation for 4,4-dimethyl-1H-pyridine?
The canonical SMILES for 4,4-dimethyl-1H-pyridine is CC1(C)C=CNC=C1.
What is the InChIKey of 4,4-dimethyl-1H-pyridine?
The InChIKey is FQLQJRHAQKNKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2)3-5-8-6-4-7/h3-6,8H,1-2H3.
What are the key properties of 4,4-dimethyl-1H-pyridine?
4,4-dimethyl-1H-pyridine has a molecular weight of 109.17 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1H-pyridine is sourced from PubChem (CID 55287127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).