2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine

C12H21NO — CID 155030489

IUPAC2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine
SMILESCC1=CN(C)C(OCC(C)(C)C)C=C1
InChIInChI=1S/C12H21NO/c1-10-6-7-11(13(5)8-10)14-9-12(2,3)4/h6-8,11H,9H2,1-5H3
InChIKeyNEXAKYRDKXFJDN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.78
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine

2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine (PubChem CID 155030489) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine
PubChem CID155030489
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine
SMILESCC1=CN(C)C(OCC(C)(C)C)C=C1
InChIInChI=1S/C12H21NO/c1-10-6-7-11(13(5)8-10)14-9-12(2,3)4/h6-8,11H,9H2,1-5H3
InChIKeyNEXAKYRDKXFJDN-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine?
The IUPAC name of 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine (CID 155030489) is 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine is CC1=CN(C)C(OCC(C)(C)C)C=C1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine?
The InChIKey is NEXAKYRDKXFJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-6-7-11(13(5)8-10)14-9-12(2,3)4/h6-8,11H,9H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine?
2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine has a molecular weight of 195.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-1,5-dimethyl-2H-pyridine is sourced from PubChem (CID 155030489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).