4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine

C17H27N — CID 159932847

IUPAC4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine
SMILESC=C(C)Cc1cc(C(C)(C)C)c(C(C)(C)C)cn1
InChIInChI=1S/C17H27N/c1-12(2)9-13-10-14(16(3,4)5)15(11-18-13)17(6,7)8/h10-11H,1,9H2,2-8H3
InChIKeyAMWZMPZJFYHDNJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.80
Rot. Bonds2

About 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine

4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine (PubChem CID 159932847) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine.

Molecular Properties

Compound Name4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine
PubChem CID159932847
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine
SMILESC=C(C)Cc1cc(C(C)(C)C)c(C(C)(C)C)cn1
InChIInChI=1S/C17H27N/c1-12(2)9-13-10-14(16(3,4)5)15(11-18-13)17(6,7)8/h10-11H,1,9H2,2-8H3
InChIKeyAMWZMPZJFYHDNJ-UHFFFAOYSA-N
XLogP4.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-(2-methylprop-2-enyl)pyridine
CID 170125619
4,5-ditert-butyl-2-chloropyridine
CID 155787493
5-tert-butyl-2-ethyl-4-methylpyridine
CID 154974877
2-(2-methylprop-2-enyl)pyridine
CID 12534227
(3E)-3-chloro-5-hydroxy-4-methyl-6-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]hepta-3,6-dien-2-one
CID 163806676
5-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrimidine
CID 89033887
1-(4-tert-butyl-2-pyridinyl)propan-2-one
CID 91432972
1,3-ditert-butyl-2-methyl-5-(3-methylbut-3-enyl)benzene;ethane
CID 166463875
4-tert-butyl-5-methyl-2-[3-methyl-3-(3-methyl-4-pyridinyl)butyl]pyridine
CID 167226611
5-tert-butyl-6-methylpyridin-3-ol
CID 155312125
5-tert-butyl-2-methylpyridin-4-amine
CID 155095882
5-methyl-N-(2-methylidenebutyl)pyrimidin-2-amine
CID 126987115

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine?
The IUPAC name of 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine (CID 159932847) is 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine.
What is the SMILES notation for 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine?
The canonical SMILES for 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine is C=C(C)Cc1cc(C(C)(C)C)c(C(C)(C)C)cn1.
What is the InChIKey of 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine?
The InChIKey is AMWZMPZJFYHDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)9-13-10-14(16(3,4)5)15(11-18-13)17(6,7)8/h10-11H,1,9H2,2-8H3.
What are the key properties of 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine?
4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine has a molecular weight of 245.41 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine is sourced from PubChem (CID 159932847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).