4,4-dimethyl-3H-pyridine

C7H11N — CID 67513837

IUPAC4,4-dimethyl-3H-pyridine
SMILESCC1(C)C=CN=CC1
InChIInChI=1S/C7H11N/c1-7(2)3-5-8-6-4-7/h3,5-6H,4H2,1-2H3
InChIKeyNURJCIIHNXRHJV-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds

About 4,4-dimethyl-3H-pyridine

4,4-dimethyl-3H-pyridine (PubChem CID 67513837) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4,4-dimethyl-3H-pyridine.

Molecular Properties

Compound Name4,4-dimethyl-3H-pyridine
PubChem CID67513837
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4,4-dimethyl-3H-pyridine
SMILESCC1(C)C=CN=CC1
InChIInChI=1S/C7H11N/c1-7(2)3-5-8-6-4-7/h3,5-6H,4H2,1-2H3
InChIKeyNURJCIIHNXRHJV-UHFFFAOYSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3H-pyridine?
The IUPAC name of 4,4-dimethyl-3H-pyridine (CID 67513837) is 4,4-dimethyl-3H-pyridine.
What is the SMILES notation for 4,4-dimethyl-3H-pyridine?
The canonical SMILES for 4,4-dimethyl-3H-pyridine is CC1(C)C=CN=CC1.
What is the InChIKey of 4,4-dimethyl-3H-pyridine?
The InChIKey is NURJCIIHNXRHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2)3-5-8-6-4-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 4,4-dimethyl-3H-pyridine?
4,4-dimethyl-3H-pyridine has a molecular weight of 109.17 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3H-pyridine is sourced from PubChem (CID 67513837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).