6-methyl-1-pentyl-2H-pyridine

C11H19N — CID 54491275

IUPAC6-methyl-1-pentyl-2H-pyridine
SMILESCCCCCN1CC=CC=C1C
InChIInChI=1S/C11H19N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyXVWXLYRJDCSJKH-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.95
Rot. Bonds4

About 6-methyl-1-pentyl-2H-pyridine

6-methyl-1-pentyl-2H-pyridine (PubChem CID 54491275) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-methyl-1-pentyl-2H-pyridine.

Molecular Properties

Compound Name6-methyl-1-pentyl-2H-pyridine
PubChem CID54491275
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-methyl-1-pentyl-2H-pyridine
SMILESCCCCCN1CC=CC=C1C
InChIInChI=1S/C11H19N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h5,7-8H,3-4,6,9-10H2,1-2H3
InChIKeyXVWXLYRJDCSJKH-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-1-pentyl-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-pentyl-2H-pyridine?
The IUPAC name of 6-methyl-1-pentyl-2H-pyridine (CID 54491275) is 6-methyl-1-pentyl-2H-pyridine.
What is the SMILES notation for 6-methyl-1-pentyl-2H-pyridine?
The canonical SMILES for 6-methyl-1-pentyl-2H-pyridine is CCCCCN1CC=CC=C1C.
What is the InChIKey of 6-methyl-1-pentyl-2H-pyridine?
The InChIKey is XVWXLYRJDCSJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-6-9-12-10-7-5-8-11(12)2/h5,7-8H,3-4,6,9-10H2,1-2H3.
What are the key properties of 6-methyl-1-pentyl-2H-pyridine?
6-methyl-1-pentyl-2H-pyridine has a molecular weight of 165.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pentyl-2H-pyridine is sourced from PubChem (CID 54491275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).