1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine

C15H29N — CID 22961048

IUPAC1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine
SMILESCC(C)(C)C1=CCN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C15H29N/c1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12/h9H,10-11H2,1-8H3
InChIKeyJZCWNQKHTCUZSO-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.24
Rot. Bonds

About 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine

1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine (PubChem CID 22961048) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine.

Molecular Properties

Compound Name1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine
PubChem CID22961048
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine
SMILESCC(C)(C)C1=CCN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C15H29N/c1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12/h9H,10-11H2,1-8H3
InChIKeyJZCWNQKHTCUZSO-UHFFFAOYSA-N
XLogP4.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.24
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 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine?
The IUPAC name of 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine (CID 22961048) is 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine.
What is the SMILES notation for 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine?
The canonical SMILES for 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine is CC(C)(C)C1=CCN(C(C)(C)C)C(C)(C)C1.
What is the InChIKey of 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine?
The InChIKey is JZCWNQKHTCUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-13(2,3)12-9-10-16(14(4,5)6)15(7,8)11-12/h9H,10-11H2,1-8H3.
What are the key properties of 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine?
1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine has a molecular weight of 223.40 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine is sourced from PubChem (CID 22961048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).