6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine

C11H19NO — CID 147202849

IUPAC6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine
SMILESCC1CC=CC(OCC(C)(C)C)=N1
InChIInChI=1S/C11H19NO/c1-9-6-5-7-10(12-9)13-8-11(2,3)4/h5,7,9H,6,8H2,1-4H3
InChIKeyCDRBCBZQZXGZBL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.80
Rot. Bonds1

About 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine

6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine (PubChem CID 147202849) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine
PubChem CID147202849
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine
SMILESCC1CC=CC(OCC(C)(C)C)=N1
InChIInChI=1S/C11H19NO/c1-9-6-5-7-10(12-9)13-8-11(2,3)4/h5,7,9H,6,8H2,1-4H3
InChIKeyCDRBCBZQZXGZBL-UHFFFAOYSA-N
XLogP2.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine?
The IUPAC name of 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine (CID 147202849) is 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine is CC1CC=CC(OCC(C)(C)C)=N1.
What is the InChIKey of 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine?
The InChIKey is CDRBCBZQZXGZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-6-5-7-10(12-9)13-8-11(2,3)4/h5,7,9H,6,8H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine?
6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine has a molecular weight of 181.28 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropoxy)-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 147202849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).