6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine

C9H17NO2 — CID 150421329

IUPAC6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine
SMILESCOC(OC)C1=CCCCN1C
InChIInChI=1S/C9H17NO2/c1-10-7-5-4-6-8(10)9(11-2)12-3/h6,9H,4-5,7H2,1-3H3
InChIKeyHHVOXEAVHBIYPT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.21
Rot. Bonds3

About 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine

6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 150421329) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID150421329
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine
SMILESCOC(OC)C1=CCCCN1C
InChIInChI=1S/C9H17NO2/c1-10-7-5-4-6-8(10)9(11-2)12-3/h6,9H,4-5,7H2,1-3H3
InChIKeyHHVOXEAVHBIYPT-UHFFFAOYSA-N
XLogP1.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine (CID 150421329) is 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine is COC(OC)C1=CCCCN1C.
What is the InChIKey of 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is HHVOXEAVHBIYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-7-5-4-6-8(10)9(11-2)12-3/h6,9H,4-5,7H2,1-3H3.
What are the key properties of 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine?
6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 171.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxymethyl)-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 150421329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).