3-butyl-2-hexyl-1,2-dihydropyridine

C15H27N — CID 174837451

IUPAC3-butyl-2-hexyl-1,2-dihydropyridine
SMILESCCCCCCC1NC=CC=C1CCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-12-15-14(10-6-4-2)11-9-13-16-15/h9,11,13,15-16H,3-8,10,12H2,1-2H3
InChIKeyNGBWTFHXMAPUCZ-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.56
Rot. Bonds8

About 3-butyl-2-hexyl-1,2-dihydropyridine

3-butyl-2-hexyl-1,2-dihydropyridine (PubChem CID 174837451) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3-butyl-2-hexyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-butyl-2-hexyl-1,2-dihydropyridine
PubChem CID174837451
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3-butyl-2-hexyl-1,2-dihydropyridine
SMILESCCCCCCC1NC=CC=C1CCCC
InChIInChI=1S/C15H27N/c1-3-5-7-8-12-15-14(10-6-4-2)11-9-13-16-15/h9,11,13,15-16H,3-8,10,12H2,1-2H3
InChIKeyNGBWTFHXMAPUCZ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-dioctylcyclopenta-1,3-diene
CID 173106521
2-nonyl-1,2-dihydropyridine
CID 134546505
1,3-dihexylcyclopropene
CID 22621674
1-butyl-5-methylcyclopenta-1,3-diene;dichlorotitanium
CID 174488581
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
ethanol;2-undecyl-2,3-dihydro-1H-imidazole
CID 174912710
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
5-undecylcyclopenta-1,3-diene
CID 141280590
(2-butylcyclopenta-2,4-dien-1-yl)-trimethoxysilane
CID 139699569
1-butyl-5-cyclopentylcyclopenta-1,3-diene
CID 159612509
1-dodec-6-enyl-3-heptylcyclopropene
CID 123978294
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-hexyl-1,2-dihydropyridine?
The IUPAC name of 3-butyl-2-hexyl-1,2-dihydropyridine (CID 174837451) is 3-butyl-2-hexyl-1,2-dihydropyridine.
What is the SMILES notation for 3-butyl-2-hexyl-1,2-dihydropyridine?
The canonical SMILES for 3-butyl-2-hexyl-1,2-dihydropyridine is CCCCCCC1NC=CC=C1CCCC.
What is the InChIKey of 3-butyl-2-hexyl-1,2-dihydropyridine?
The InChIKey is NGBWTFHXMAPUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-8-12-15-14(10-6-4-2)11-9-13-16-15/h9,11,13,15-16H,3-8,10,12H2,1-2H3.
What are the key properties of 3-butyl-2-hexyl-1,2-dihydropyridine?
3-butyl-2-hexyl-1,2-dihydropyridine has a molecular weight of 221.39 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-hexyl-1,2-dihydropyridine is sourced from PubChem (CID 174837451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).