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

C14H25NO2 — CID 58333091

IUPACtert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)11-7-9-15(10-8-11)12(16)17-14(4,5)6/h7H,8-10H2,1-6H3
InChIKeyUVBGPXFRPTZBOH-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.60
Rot. Bonds

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

tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 58333091) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID58333091
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO2/c1-13(2,3)11-7-9-15(10-8-11)12(16)17-14(4,5)6/h7H,8-10H2,1-6H3
InChIKeyUVBGPXFRPTZBOH-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 58333091) is tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UVBGPXFRPTZBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13(2,3)11-7-9-15(10-8-11)12(16)17-14(4,5)6/h7H,8-10H2,1-6H3.
What are the key properties of tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 58333091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).