1-hexyl-2-methyl-2H-pyridine

C12H21N — CID 141126590

IUPAC1-hexyl-2-methyl-2H-pyridine
SMILESCCCCCCN1C=CC=CC1C
InChIInChI=1S/C12H21N/c1-3-4-5-7-10-13-11-8-6-9-12(13)2/h6,8-9,11-12H,3-5,7,10H2,1-2H3
InChIKeyUBRPFXCCMMHCKZ-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.34
Rot. Bonds5

About 1-hexyl-2-methyl-2H-pyridine

1-hexyl-2-methyl-2H-pyridine (PubChem CID 141126590) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-hexyl-2-methyl-2H-pyridine.

Molecular Properties

Compound Name1-hexyl-2-methyl-2H-pyridine
PubChem CID141126590
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-hexyl-2-methyl-2H-pyridine
SMILESCCCCCCN1C=CC=CC1C
InChIInChI=1S/C12H21N/c1-3-4-5-7-10-13-11-8-6-9-12(13)2/h6,8-9,11-12H,3-5,7,10H2,1-2H3
InChIKeyUBRPFXCCMMHCKZ-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
2-methyl-1-propyl-2H-pyridine;hydrobromide
CID 174983516
2-bromo-1-hexyl-2H-pyridine
CID 161493012
1-butyl-2-hexyl-2H-pyridine
CID 141363416
1,3-diheptyl-2-methyl-2H-imidazole
CID 69394446
1,3-didecyl-2-methyl-2H-imidazole
CID 3018046
1-hexyl-2-methyl-3-tetradecyl-2H-imidazole
CID 69392459
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-decyl-2-methyl-3-pentyl-2H-imidazole
CID 69391590
1-decyl-2-methyl-3-tridecyl-2H-imidazole
CID 69388587

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-methyl-2H-pyridine?
The IUPAC name of 1-hexyl-2-methyl-2H-pyridine (CID 141126590) is 1-hexyl-2-methyl-2H-pyridine.
What is the SMILES notation for 1-hexyl-2-methyl-2H-pyridine?
The canonical SMILES for 1-hexyl-2-methyl-2H-pyridine is CCCCCCN1C=CC=CC1C.
What is the InChIKey of 1-hexyl-2-methyl-2H-pyridine?
The InChIKey is UBRPFXCCMMHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-4-5-7-10-13-11-8-6-9-12(13)2/h6,8-9,11-12H,3-5,7,10H2,1-2H3.
What are the key properties of 1-hexyl-2-methyl-2H-pyridine?
1-hexyl-2-methyl-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-methyl-2H-pyridine is sourced from PubChem (CID 141126590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).