6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine

C8H15NO — CID 143591895

IUPAC6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
SMILESCOC1C=CC(C)(C)CN1
InChIInChI=1S/C8H15NO/c1-8(2)5-4-7(10-3)9-6-8/h4-5,7,9H,6H2,1-3H3
InChIKeyAHRFTAUSJYNWQD-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.14
Rot. Bonds1

About 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine

6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine (PubChem CID 143591895) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
PubChem CID143591895
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine
SMILESCOC1C=CC(C)(C)CN1
InChIInChI=1S/C8H15NO/c1-8(2)5-4-7(10-3)9-6-8/h4-5,7,9H,6H2,1-3H3
InChIKeyAHRFTAUSJYNWQD-UHFFFAOYSA-N
XLogP1.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
6-Methoxy-1,2,3,6-tetrahydropyridine
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6-Methoxy-3-methyl-1,2,3,6-tetrahydropyridine
CID 89642580
6-Methoxy-1,2,3,6-tetrahydropyridin-3-amine
CID 123663821
2-methoxy-5-methyl-2,7-dihydro-1H-azepine
CID 132199043
N-ethyl-3,6-dihydro-2H-pyran-2-amine
CID 143576066
2-Methoxy-5,6-dimethyl-1,2-dihydropyridine
CID 143707434
(E)-5-methoxy-N-methylpent-3-en-1-amine
CID 143749097
2,6-Dimethoxy-1,2,3,6-tetrahydropyridine
CID 160599293
Methoxy(1,2,3,6-tetrahydropyridin-4-yl)methanamine
CID 163951235
N-ethyl-5-propoxypent-3-en-1-amine
CID 79590570
N-ethyl-5-methoxypent-3-en-1-amine
CID 79590813

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine?
The IUPAC name of 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine (CID 143591895) is 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine?
The canonical SMILES for 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine is COC1C=CC(C)(C)CN1.
What is the InChIKey of 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine?
The InChIKey is AHRFTAUSJYNWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2)5-4-7(10-3)9-6-8/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine?
6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine has a molecular weight of 141.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-2,6-dihydro-1H-pyridine is sourced from PubChem (CID 143591895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).