6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine

C11H19NO — CID 130224375

IUPAC6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine
SMILESCC1=NC(OC(C)C(C)C)CC=C1
InChIInChI=1S/C11H19NO/c1-8(2)10(4)13-11-7-5-6-9(3)12-11/h5-6,8,10-11H,7H2,1-4H3
InChIKeyCMKKOZZSTIHISS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.79
Rot. Bonds3

About 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine

6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine (PubChem CID 130224375) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine
PubChem CID130224375
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine
SMILESCC1=NC(OC(C)C(C)C)CC=C1
InChIInChI=1S/C11H19NO/c1-8(2)10(4)13-11-7-5-6-9(3)12-11/h5-6,8,10-11H,7H2,1-4H3
InChIKeyCMKKOZZSTIHISS-UHFFFAOYSA-N
XLogP2.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine?
The IUPAC name of 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine (CID 130224375) is 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine.
What is the SMILES notation for 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine?
The canonical SMILES for 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine is CC1=NC(OC(C)C(C)C)CC=C1.
What is the InChIKey of 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine?
The InChIKey is CMKKOZZSTIHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)10(4)13-11-7-5-6-9(3)12-11/h5-6,8,10-11H,7H2,1-4H3.
What are the key properties of 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine?
6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine has a molecular weight of 181.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbutan-2-yloxy)-2,3-dihydropyridine is sourced from PubChem (CID 130224375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).