2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine

C11H19NO — CID 175614275

IUPAC2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine
SMILESCC1CC=CC(COC(C)(C)C)=N1
InChIInChI=1S/C11H19NO/c1-9-6-5-7-10(12-9)8-13-11(2,3)4/h5,7,9H,6,8H2,1-4H3
InChIKeySPDJCSSECWRSJI-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine

2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine (PubChem CID 175614275) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine.

Molecular Properties

Compound Name2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine
PubChem CID175614275
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine
SMILESCC1CC=CC(COC(C)(C)C)=N1
InChIInChI=1S/C11H19NO/c1-9-6-5-7-10(12-9)8-13-11(2,3)4/h5,7,9H,6,8H2,1-4H3
InChIKeySPDJCSSECWRSJI-UHFFFAOYSA-N
XLogP2.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine?
The IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine (CID 175614275) is 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine.
What is the SMILES notation for 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine?
The canonical SMILES for 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine is CC1CC=CC(COC(C)(C)C)=N1.
What is the InChIKey of 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine?
The InChIKey is SPDJCSSECWRSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-6-5-7-10(12-9)8-13-11(2,3)4/h5,7,9H,6,8H2,1-4H3.
What are the key properties of 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine?
2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylpropan-2-yl)oxymethyl]-2,3-dihydropyridine is sourced from PubChem (CID 175614275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).