4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine

C13H23N — CID 146253049

IUPAC4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine
SMILESCC(C)C1=C(C(C)C)C(C)(C)CC=N1
InChIInChI=1S/C13H23N/c1-9(2)11-12(10(3)4)14-8-7-13(11,5)6/h8-10H,7H2,1-6H3
InChIKeyDRDQBHRVCRKWKX-UHFFFAOYSA-N
MW193.33 g/mol
LogP4.05
Rot. Bonds2

About 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine

4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine (PubChem CID 146253049) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine.

Molecular Properties

Compound Name4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine
PubChem CID146253049
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine
SMILESCC(C)C1=C(C(C)C)C(C)(C)CC=N1
InChIInChI=1S/C13H23N/c1-9(2)11-12(10(3)4)14-8-7-13(11,5)6/h8-10H,7H2,1-6H3
InChIKeyDRDQBHRVCRKWKX-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine?
The IUPAC name of 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine (CID 146253049) is 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine.
What is the SMILES notation for 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine?
The canonical SMILES for 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine is CC(C)C1=C(C(C)C)C(C)(C)CC=N1.
What is the InChIKey of 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine?
The InChIKey is DRDQBHRVCRKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(2)11-12(10(3)4)14-8-7-13(11,5)6/h8-10H,7H2,1-6H3.
What are the key properties of 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine?
4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine has a molecular weight of 193.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5,6-di(propan-2-yl)-3H-pyridine is sourced from PubChem (CID 146253049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).