6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine

C13H23N — CID 147033712

IUPAC6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1CCC(C(C)(C)C)=NC1C
InChIInChI=1S/C13H23N/c1-6-7-11-8-9-12(13(3,4)5)14-10(11)2/h6,10-11H,1,7-9H2,2-5H3
InChIKeyAYBZKCHWOBOGHM-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.85
Rot. Bonds2

About 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine

6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine (PubChem CID 147033712) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine
PubChem CID147033712
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1CCC(C(C)(C)C)=NC1C
InChIInChI=1S/C13H23N/c1-6-7-11-8-9-12(13(3,4)5)14-10(11)2/h6,10-11H,1,7-9H2,2-5H3
InChIKeyAYBZKCHWOBOGHM-UHFFFAOYSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine (CID 147033712) is 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine is C=CCC1CCC(C(C)(C)C)=NC1C.
What is the InChIKey of 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The InChIKey is AYBZKCHWOBOGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-6-7-11-8-9-12(13(3,4)5)14-10(11)2/h6,10-11H,1,7-9H2,2-5H3.
What are the key properties of 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine?
6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-3-prop-2-enyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 147033712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).