2-methyl-6-(3-propoxypropyl)pyridine

C12H19NO — CID 23516888

IUPAC2-methyl-6-(3-propoxypropyl)pyridine
SMILESCCCOCCCc1cccc(C)n1
InChIInChI=1S/C12H19NO/c1-3-9-14-10-5-8-12-7-4-6-11(2)13-12/h4,6-7H,3,5,8-10H2,1-2H3
InChIKeyAJCKLBPVUIMBBX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.75
Rot. Bonds6

About 2-methyl-6-(3-propoxypropyl)pyridine

2-methyl-6-(3-propoxypropyl)pyridine (PubChem CID 23516888) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-6-(3-propoxypropyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(3-propoxypropyl)pyridine
PubChem CID23516888
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-6-(3-propoxypropyl)pyridine
SMILESCCCOCCCc1cccc(C)n1
InChIInChI=1S/C12H19NO/c1-3-9-14-10-5-8-12-7-4-6-11(2)13-12/h4,6-7H,3,5,8-10H2,1-2H3
InChIKeyAJCKLBPVUIMBBX-UHFFFAOYSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.75
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 2-methyl-6-(3-propoxypropyl)pyridine?
The IUPAC name of 2-methyl-6-(3-propoxypropyl)pyridine (CID 23516888) is 2-methyl-6-(3-propoxypropyl)pyridine.
What is the SMILES notation for 2-methyl-6-(3-propoxypropyl)pyridine?
The canonical SMILES for 2-methyl-6-(3-propoxypropyl)pyridine is CCCOCCCc1cccc(C)n1.
What is the InChIKey of 2-methyl-6-(3-propoxypropyl)pyridine?
The InChIKey is AJCKLBPVUIMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-9-14-10-5-8-12-7-4-6-11(2)13-12/h4,6-7H,3,5,8-10H2,1-2H3.
What are the key properties of 2-methyl-6-(3-propoxypropyl)pyridine?
2-methyl-6-(3-propoxypropyl)pyridine has a molecular weight of 193.29 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-propoxypropyl)pyridine is sourced from PubChem (CID 23516888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).