tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate

C14H25NO2 — CID 15202059

IUPACtert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCC1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-9-12-10-7-8-11-15(12)13(16)17-14(2,3)4/h10H,5-9,11H2,1-4H3
InChIKeyZTBWRBBPXVTZEY-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 15202059) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID15202059
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCCCC1=CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-5-6-9-12-10-7-8-11-15(12)13(16)17-14(2,3)4/h10H,5-9,11H2,1-4H3
InChIKeyZTBWRBBPXVTZEY-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 6-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 15202059) is tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate is CCCCC1=CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is ZTBWRBBPXVTZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-6-9-12-10-7-8-11-15(12)13(16)17-14(2,3)4/h10H,5-9,11H2,1-4H3.
What are the key properties of tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-butyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 15202059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).