6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine

C9H17NO — CID 166966861

IUPAC6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine
SMILESCOCC1(C)C=CC(C)CN1
InChIInChI=1S/C9H17NO/c1-8-4-5-9(2,7-11-3)10-6-8/h4-5,8,10H,6-7H2,1-3H3
InChIKeyUJLJQZWYNLKQOV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds2

About 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine

6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine (PubChem CID 166966861) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine.

Molecular Properties

Compound Name6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine
PubChem CID166966861
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine
SMILESCOCC1(C)C=CC(C)CN1
InChIInChI=1S/C9H17NO/c1-8-4-5-9(2,7-11-3)10-6-8/h4-5,8,10H,6-7H2,1-3H3
InChIKeyUJLJQZWYNLKQOV-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine?
The IUPAC name of 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine (CID 166966861) is 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine.
What is the SMILES notation for 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine?
The canonical SMILES for 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine is COCC1(C)C=CC(C)CN1.
What is the InChIKey of 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine?
The InChIKey is UJLJQZWYNLKQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-4-5-9(2,7-11-3)10-6-8/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine?
6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3,6-dimethyl-2,3-dihydro-1H-pyridine is sourced from PubChem (CID 166966861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).