2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one

C13H19NO — CID 58945173

IUPAC2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(C)C)c(C)n1
InChIInChI=1S/C13H19NO/c1-8-7-9(2)14-10(3)11(8)12(15)13(4,5)6/h7H,1-6H3
InChIKeyYJTSFPOPLGJYRJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.24
Rot. Bonds1

About 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one

2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one (PubChem CID 58945173) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one
PubChem CID58945173
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(C)C)c(C)n1
InChIInChI=1S/C13H19NO/c1-8-7-9(2)14-10(3)11(8)12(15)13(4,5)6/h7H,1-6H3
InChIKeyYJTSFPOPLGJYRJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one (CID 58945173) is 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one is Cc1cc(C)c(C(=O)C(C)(C)C)c(C)n1.
What is the InChIKey of 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one?
The InChIKey is YJTSFPOPLGJYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-7-9(2)14-10(3)11(8)12(15)13(4,5)6/h7H,1-6H3.
What are the key properties of 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one?
2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one has a molecular weight of 205.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 58945173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).