1,4-ditert-butyl-4-methyl-2,3-dihydropyridine

C14H27N — CID 59918146

IUPAC1,4-ditert-butyl-4-methyl-2,3-dihydropyridine
SMILESCC(C)(C)N1C=CC(C)(C(C)(C)C)CC1
InChIInChI=1S/C14H27N/c1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6/h8,10H,9,11H2,1-7H3
InChIKeyRHTYVUGKXHIBBL-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.06
Rot. Bonds

About 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine

1,4-ditert-butyl-4-methyl-2,3-dihydropyridine (PubChem CID 59918146) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name1,4-ditert-butyl-4-methyl-2,3-dihydropyridine
PubChem CID59918146
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1,4-ditert-butyl-4-methyl-2,3-dihydropyridine
SMILESCC(C)(C)N1C=CC(C)(C(C)(C)C)CC1
InChIInChI=1S/C14H27N/c1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6/h8,10H,9,11H2,1-7H3
InChIKeyRHTYVUGKXHIBBL-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Ethylhexyl)-4,4-dimethyl-2,3-dihydropyridine
CID 14955100
1-(Tert-butyl)-4,4-dimethyl-1,2,3,4-tetrahydropyridine
CID 14955102
1,2,2,3,3,4,4,5-Octamethylpyridine
CID 18730034
1-Heptyl-4,4-dimethyl-2,3-dihydropyridine
CID 23189964
1,2,2,3,3,4,4-Heptamethylpyridine
CID 53654846
1-Methyl-4,4-di(propan-2-yl)-2,3-dihydropyridine
CID 58233773
3,4-ditert-butyl-1-propyl-3,4-dihydro-2H-pyridine
CID 59036727
1,3-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 59559343
1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 59815016
1,4-ditert-butyl-3,4-dihydro-2H-pyridine
CID 59918156
1,4-Dimethyl-4-propan-2-yl-2,3-dihydropyridine
CID 68373378
1-[(E)-4,4,5-trimethylhex-1-enyl]piperidine
CID 90130898

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine?
The IUPAC name of 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine (CID 59918146) is 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine.
What is the SMILES notation for 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine?
The canonical SMILES for 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine is CC(C)(C)N1C=CC(C)(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine?
The InChIKey is RHTYVUGKXHIBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2,3)14(7)8-10-15(11-9-14)13(4,5)6/h8,10H,9,11H2,1-7H3.
What are the key properties of 1,4-ditert-butyl-4-methyl-2,3-dihydropyridine?
1,4-ditert-butyl-4-methyl-2,3-dihydropyridine has a molecular weight of 209.38 g/mol, XLogP of 4.06, 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-4-methyl-2,3-dihydropyridine is sourced from PubChem (CID 59918146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).