4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine

C11H21NO — CID 67726053

IUPAC4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine
SMILESCCCCCN1CC=C(OC)CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-8-12-9-6-11(13-2)7-10-12/h6H,3-5,7-10H2,1-2H3
InChIKeyGJHQJGFSQMMDNA-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.41
Rot. Bonds5

About 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine

4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine (PubChem CID 67726053) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine
PubChem CID67726053
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine
SMILESCCCCCN1CC=C(OC)CC1
InChIInChI=1S/C11H21NO/c1-3-4-5-8-12-9-6-11(13-2)7-10-12/h6H,3-5,7-10H2,1-2H3
InChIKeyGJHQJGFSQMMDNA-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine (CID 67726053) is 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine is CCCCCN1CC=C(OC)CC1.
What is the InChIKey of 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine?
The InChIKey is GJHQJGFSQMMDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-8-12-9-6-11(13-2)7-10-12/h6H,3-5,7-10H2,1-2H3.
What are the key properties of 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine?
4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine has a molecular weight of 183.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pentyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67726053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).