1-butyl-2-hexyl-2H-pyridine

C15H27N — CID 141363416

IUPAC1-butyl-2-hexyl-2H-pyridine
SMILESCCCCCCC1C=CC=CN1CCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-11-15-12-9-10-14-16(15)13-6-4-2/h9-10,12,14-15H,3-8,11,13H2,1-2H3
InChIKeyASUMBMGCQUIYOX-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.51
Rot. Bonds8

About 1-butyl-2-hexyl-2H-pyridine

1-butyl-2-hexyl-2H-pyridine (PubChem CID 141363416) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-butyl-2-hexyl-2H-pyridine.

Molecular Properties

Compound Name1-butyl-2-hexyl-2H-pyridine
PubChem CID141363416
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-butyl-2-hexyl-2H-pyridine
SMILESCCCCCCC1C=CC=CN1CCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-11-15-12-9-10-14-16(15)13-6-4-2/h9-10,12,14-15H,3-8,11,13H2,1-2H3
InChIKeyASUMBMGCQUIYOX-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.51
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-ethyl-2-hexyl-2H-pyridine
CID 151890426
1-hexyl-2-methyl-2H-pyridine
CID 141126590
2-(1-pentyl-2H-pyridin-2-yl)acetic acid
CID 162720512
1-hexadecyl-2-methyl-2H-pyridine;hydrochloride
CID 174781716
2-bromo-1-hexyl-2H-pyridine
CID 161493012
1,3-dibutyl-2-dodecyl-2H-imidazole
CID 69398132
1-butyl-3-hexyl-2-tridecyl-2H-imidazole
CID 69390321
1-butyl-2,3-di(heptadecyl)-2H-imidazole
CID 69387120
1-butyl-2-hexadecyl-3-pentyl-2H-imidazole
CID 69389669
1-butyl-3-dodecyl-2-tetradecyl-2H-imidazole
CID 69390793
1-butyl-2-octyl-3-tetradecyl-2H-imidazole
CID 69395152
1-butyl-2-heptyl-3-hexyl-2H-imidazole
CID 69391242

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hexyl-2H-pyridine?
The IUPAC name of 1-butyl-2-hexyl-2H-pyridine (CID 141363416) is 1-butyl-2-hexyl-2H-pyridine.
What is the SMILES notation for 1-butyl-2-hexyl-2H-pyridine?
The canonical SMILES for 1-butyl-2-hexyl-2H-pyridine is CCCCCCC1C=CC=CN1CCCC.
What is the InChIKey of 1-butyl-2-hexyl-2H-pyridine?
The InChIKey is ASUMBMGCQUIYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-8-11-15-12-9-10-14-16(15)13-6-4-2/h9-10,12,14-15H,3-8,11,13H2,1-2H3.
What are the key properties of 1-butyl-2-hexyl-2H-pyridine?
1-butyl-2-hexyl-2H-pyridine has a molecular weight of 221.39 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hexyl-2H-pyridine is sourced from PubChem (CID 141363416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).