1,4-ditert-butyl-3,4-dihydro-2H-pyridine

C13H25N — CID 59918156

IUPAC1,4-ditert-butyl-3,4-dihydro-2H-pyridine
SMILESCC(C)(C)C1C=CN(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7,9,11H,8,10H2,1-6H3
InChIKeyYGRPNQPBVVWDMR-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds

About 1,4-ditert-butyl-3,4-dihydro-2H-pyridine

1,4-ditert-butyl-3,4-dihydro-2H-pyridine (PubChem CID 59918156) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1,4-ditert-butyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,4-ditert-butyl-3,4-dihydro-2H-pyridine
PubChem CID59918156
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1,4-ditert-butyl-3,4-dihydro-2H-pyridine
SMILESCC(C)(C)C1C=CN(C(C)(C)C)CC1
InChIInChI=1S/C13H25N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7,9,11H,8,10H2,1-6H3
InChIKeyYGRPNQPBVVWDMR-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.67
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
1,2,2,3,3,4,4-Heptamethylpyridine
CID 53654846
1-methyl-4-propyl-3,4-dihydro-2H-pyridine
CID 53867295
5-Tert-butyl-1-azabicyclo[2.2.1]hept-2-ene
CID 57758390
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
1,5-Di(propan-2-yl)-2,3,4,5-tetrahydroazepine
CID 59559359
1,4-Di(propan-2-yl)-2,3,4,5-tetrahydroazepine
CID 59559386
(7Z)-1,5-di(propan-2-yl)-3,4,5,6-tetrahydro-2H-azocine
CID 59559481

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,4-ditert-butyl-3,4-dihydro-2H-pyridine (CID 59918156) is 1,4-ditert-butyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,4-ditert-butyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,4-ditert-butyl-3,4-dihydro-2H-pyridine is CC(C)(C)C1C=CN(C(C)(C)C)CC1.
What is the InChIKey of 1,4-ditert-butyl-3,4-dihydro-2H-pyridine?
The InChIKey is YGRPNQPBVVWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h7,9,11H,8,10H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-3,4-dihydro-2H-pyridine?
1,4-ditert-butyl-3,4-dihydro-2H-pyridine has a molecular weight of 195.35 g/mol, XLogP of 3.67, 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-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 59918156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).