4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine

C18H32N2 — CID 69298883

IUPAC4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)C1=C[C@H](C2CC(C(C)(C)C)CC=N2)NCC1
InChIInChI=1S/C18H32N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h9,12-13,15-16,20H,7-8,10-11H2,1-6H3/t13?,15?,16-/m1/s1
InChIKeyXCDLDIAYPYYXBN-AVVWSFFYSA-N
MW276.47 g/mol
LogP4.22
Rot. Bonds1

About 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine

4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine (PubChem CID 69298883) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine
PubChem CID69298883
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)C1=C[C@H](C2CC(C(C)(C)C)CC=N2)NCC1
InChIInChI=1S/C18H32N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h9,12-13,15-16,20H,7-8,10-11H2,1-6H3/t13?,15?,16-/m1/s1
InChIKeyXCDLDIAYPYYXBN-AVVWSFFYSA-N
XLogP4.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
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 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine (CID 69298883) is 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine is CC(C)(C)C1=C[C@H](C2CC(C(C)(C)C)CC=N2)NCC1.
What is the InChIKey of 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine?
The InChIKey is XCDLDIAYPYYXBN-AVVWSFFYSA-N. The full InChI is InChI=1S/C18H32N2/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6/h9,12-13,15-16,20H,7-8,10-11H2,1-6H3/t13?,15?,16-/m1/s1.
What are the key properties of 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine?
4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine has a molecular weight of 276.47 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(6R)-4-tert-butyl-1,2,3,6-tetrahydropyridin-6-yl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 69298883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).