2-hexyl-3,6-dimethylpyridine

C13H21N — CID 23386704

IUPAC2-hexyl-3,6-dimethylpyridine
SMILESCCCCCCc1nc(C)ccc1C
InChIInChI=1S/C13H21N/c1-4-5-6-7-8-13-11(2)9-10-12(3)14-13/h9-10H,4-8H2,1-3H3
InChIKeyVKVPHPSWRITQFV-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.82
Rot. Bonds5

About 2-hexyl-3,6-dimethylpyridine

2-hexyl-3,6-dimethylpyridine (PubChem CID 23386704) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-hexyl-3,6-dimethylpyridine.

Molecular Properties

Compound Name2-hexyl-3,6-dimethylpyridine
PubChem CID23386704
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-hexyl-3,6-dimethylpyridine
SMILESCCCCCCc1nc(C)ccc1C
InChIInChI=1S/C13H21N/c1-4-5-6-7-8-13-11(2)9-10-12(3)14-13/h9-10H,4-8H2,1-3H3
InChIKeyVKVPHPSWRITQFV-UHFFFAOYSA-N
XLogP3.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexyl-3,6-dimethylpyridine with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-6-methyl-2-pentylpyridine;ethane
CID 177208340
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
6-methyl-3-pentylpyridin-2-amine
CID 167157111
4,5,6-trioctylpyrimidine
CID 91147699
4-methyl-5-octyl-2H-triazole
CID 21337908
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
3,4-dimethyl-2-pentylpyridine
CID 86118015
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
2-heptyl-1,3,5-trimethylbenzene
CID 91176517
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521
2-hexadecyl-1,3,5-trimethylbenzene
CID 86119723

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3,6-dimethylpyridine?
The IUPAC name of 2-hexyl-3,6-dimethylpyridine (CID 23386704) is 2-hexyl-3,6-dimethylpyridine.
What is the SMILES notation for 2-hexyl-3,6-dimethylpyridine?
The canonical SMILES for 2-hexyl-3,6-dimethylpyridine is CCCCCCc1nc(C)ccc1C.
What is the InChIKey of 2-hexyl-3,6-dimethylpyridine?
The InChIKey is VKVPHPSWRITQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-6-7-8-13-11(2)9-10-12(3)14-13/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-hexyl-3,6-dimethylpyridine?
2-hexyl-3,6-dimethylpyridine has a molecular weight of 191.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3,6-dimethylpyridine is sourced from PubChem (CID 23386704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).