(2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine

C12H21N — CID 16658007

IUPAC(2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@H]1CC=C[C@H](C(C)(C)C)N1
InChIInChI=1S/C12H21N/c1-5-7-10-8-6-9-11(13-10)12(2,3)4/h5-6,9-11,13H,1,7-8H2,2-4H3/t10-,11+/m0/s1
InChIKeyZYKPVTJOLNQBPX-WDEREUQCSA-N
MW179.31 g/mol
LogP2.90
Rot. Bonds2

About (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine

(2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine (PubChem CID 16658007) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
PubChem CID16658007
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine
SMILESC=CC[C@H]1CC=C[C@H](C(C)(C)C)N1
InChIInChI=1S/C12H21N/c1-5-7-10-8-6-9-11(13-10)12(2,3)4/h5-6,9-11,13H,1,7-8H2,2-4H3/t10-,11+/m0/s1
InChIKeyZYKPVTJOLNQBPX-WDEREUQCSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
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 (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine (CID 16658007) is (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine is C=CC[C@H]1CC=C[C@H](C(C)(C)C)N1.
What is the InChIKey of (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
The InChIKey is ZYKPVTJOLNQBPX-WDEREUQCSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-10-8-6-9-11(13-10)12(2,3)4/h5-6,9-11,13H,1,7-8H2,2-4H3/t10-,11+/m0/s1.
What are the key properties of (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine?
(2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine has a molecular weight of 179.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-tert-butyl-2-prop-2-enyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 16658007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).