2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine

C17H33N — CID 20872193

IUPAC2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine
SMILESCCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C17H33N/c1-8-9-10-13-11-12-14(16(2,3)4)15(18-13)17(5,6)7/h13,18H,8-12H2,1-7H3
InChIKeyRVWWLKJXHOHGSX-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.27
Rot. Bonds3

About 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine

2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine (PubChem CID 20872193) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine
PubChem CID20872193
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine
SMILESCCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1
InChIInChI=1S/C17H33N/c1-8-9-10-13-11-12-14(16(2,3)4)15(18-13)17(5,6)7/h13,18H,8-12H2,1-7H3
InChIKeyRVWWLKJXHOHGSX-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
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(2R,5S)-2,5-dipentylpyrrolidine
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azane;2-methylbutan-2-amine;5-octadec-9-enylpyrrolidin-2-one;hydrochloride
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(2S,6R)-2-butyl-6-hexylpiperidine
CID 139750067
[(2S,5S)-5-butylpyrrolidin-2-yl]methanol
CID 131230214
(2R,6S)-2,6-dibutylpiperidin-4-one
CID 24773544
(2S,5R)-2-hexyl-5-nonylpyrrolidine
CID 163001890
(2R,5R)-2,5-dipentylpyrrolidine;hydrochloride
CID 44889697
(1S,4S,6R,10R)-6,10-dibutyl-7,9-diaza-12-azoniatricyclo[6.3.1.04,12]dodec-8(12)-ene
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2,5-dibutyl-4,5-dihydro-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine (CID 20872193) is 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine is CCCCC1CCC(C(C)(C)C)=C(C(C)(C)C)N1.
What is the InChIKey of 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
The InChIKey is RVWWLKJXHOHGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-8-9-10-13-11-12-14(16(2,3)4)15(18-13)17(5,6)7/h13,18H,8-12H2,1-7H3.
What are the key properties of 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine?
2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine has a molecular weight of 251.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5,6-ditert-butyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 20872193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).