1-hexyl-4-methyl-2H-pyridine;hydrochloride

C12H22ClN — CID 175139051

IUPAC1-hexyl-4-methyl-2H-pyridine;hydrochloride
SMILESCCCCCCN1C=CC(C)=CC1.Cl
InChIInChI=1S/C12H21N.ClH/c1-3-4-5-6-9-13-10-7-12(2)8-11-13;/h7-8,10H,3-6,9,11H2,1-2H3;1H
InChIKeyZMLNBDNVTOCFHS-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.76
Rot. Bonds5

About 1-hexyl-4-methyl-2H-pyridine;hydrochloride

1-hexyl-4-methyl-2H-pyridine;hydrochloride (PubChem CID 175139051) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 1-hexyl-4-methyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-hexyl-4-methyl-2H-pyridine;hydrochloride
PubChem CID175139051
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name1-hexyl-4-methyl-2H-pyridine;hydrochloride
SMILESCCCCCCN1C=CC(C)=CC1.Cl
InChIInChI=1S/C12H21N.ClH/c1-3-4-5-6-9-13-10-7-12(2)8-11-13;/h7-8,10H,3-6,9,11H2,1-2H3;1H
InChIKeyZMLNBDNVTOCFHS-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.76
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-decyl-4-methyl-2H-pyridine
CID 141124014
1-hexyl-4-methyl-2H-pyridine;hydron;hexafluorophosphate
CID 161079297
1-octyl-2H-pyridine;hydrochloride
CID 69369892
1-hexyl-2H-pyridine;hydrochloride
CID 141192021
5,10,15,20-tetrakis(1-octadecyl-2H-pyridin-4-yl)-21,23-dihydroporphyrin
CID 136593498
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-heptyl-3-nonyl-2H-imidazole
CID 69393199

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-4-methyl-2H-pyridine;hydrochloride?
The IUPAC name of 1-hexyl-4-methyl-2H-pyridine;hydrochloride (CID 175139051) is 1-hexyl-4-methyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-hexyl-4-methyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1-hexyl-4-methyl-2H-pyridine;hydrochloride is CCCCCCN1C=CC(C)=CC1.Cl.
What is the InChIKey of 1-hexyl-4-methyl-2H-pyridine;hydrochloride?
The InChIKey is ZMLNBDNVTOCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N.ClH/c1-3-4-5-6-9-13-10-7-12(2)8-11-13;/h7-8,10H,3-6,9,11H2,1-2H3;1H.
What are the key properties of 1-hexyl-4-methyl-2H-pyridine;hydrochloride?
1-hexyl-4-methyl-2H-pyridine;hydrochloride has a molecular weight of 215.77 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-4-methyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 175139051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).