1-hexadecyl-2-methyl-2H-pyridine;hydrochloride

C22H42ClN — CID 174781716

IUPAC1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
SMILESCCCCCCCCCCCCCCCCN1C=CC=CC1C.Cl
InChIInChI=1S/C22H41N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22(23)2;/h16,18-19,21-22H,3-15,17,20H2,1-2H3;1H
InChIKeySKLWQTZEMQYVOU-UHFFFAOYSA-N
MW356.04 g/mol
LogP7.66
Rot. Bonds15

About 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride

1-hexadecyl-2-methyl-2H-pyridine;hydrochloride (PubChem CID 174781716) has the molecular formula C22H42ClN and a molecular weight of 356.04 g/mol. Its IUPAC name is 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride.

Molecular Properties

Compound Name1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
PubChem CID174781716
Molecular FormulaC22H42ClN
Molecular Weight356.04 g/mol
Exact Mass355.30
IUPAC Name1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
SMILESCCCCCCCCCCCCCCCCN1C=CC=CC1C.Cl
InChIInChI=1S/C22H41N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22(23)2;/h16,18-19,21-22H,3-15,17,20H2,1-2H3;1H
InChIKeySKLWQTZEMQYVOU-UHFFFAOYSA-N
XLogP7.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.04
LogP ≤ 57.66
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-hexyl-2-methyl-2H-pyridine
CID 141126590
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
2-methyl-1,3-dioctyl-2H-imidazole
CID 21393912
2-methyl-1-nonadecyl-3-pentyl-2H-imidazole
CID 69387519
1-heptadecyl-2-methyl-3-tridecyl-2H-imidazole
CID 69393888
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-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-hexadecyl-2-methyl-2H-pyridine;hydrochloride?
The IUPAC name of 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride (CID 174781716) is 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride.
What is the SMILES notation for 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride?
The canonical SMILES for 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride is CCCCCCCCCCCCCCCCN1C=CC=CC1C.Cl.
What is the InChIKey of 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride?
The InChIKey is SKLWQTZEMQYVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22(23)2;/h16,18-19,21-22H,3-15,17,20H2,1-2H3;1H.
What are the key properties of 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride?
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride has a molecular weight of 356.04 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-2-methyl-2H-pyridine;hydrochloride is sourced from PubChem (CID 174781716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).