5-tert-butyl-2-(2-methylprop-2-enyl)pyridine

C13H19N — CID 170125619

IUPAC5-tert-butyl-2-(2-methylprop-2-enyl)pyridine
SMILESC=C(C)Cc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H19N/c1-10(2)8-12-7-6-11(9-14-12)13(3,4)5/h6-7,9H,1,8H2,2-5H3
InChIKeySFOXRPUTHSJEPZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.50
Rot. Bonds2

About 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine

5-tert-butyl-2-(2-methylprop-2-enyl)pyridine (PubChem CID 170125619) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methylprop-2-enyl)pyridine
PubChem CID170125619
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-tert-butyl-2-(2-methylprop-2-enyl)pyridine
SMILESC=C(C)Cc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H19N/c1-10(2)8-12-7-6-11(9-14-12)13(3,4)5/h6-7,9H,1,8H2,2-5H3
InChIKeySFOXRPUTHSJEPZ-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.50
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

4,5-ditert-butyl-2-(2-methylprop-2-enyl)pyridine
CID 159932847
5-tert-butyl-2-prop-2-ynylpyridine
CID 135295966
2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
CID 59446206
2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 158131432
[5-(3-methylpentan-3-yl)-2-pyridinyl]methanol
CID 155392603
[5-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 139170729
2,5-ditert-butylpyridine;propane
CID 158805083
5-tert-butyl-2-[(3,4-difluoropyrrolidin-1-yl)methyl]pyridine
CID 176703031
2-(2-bromoprop-2-enyl)-5-methylpyridine
CID 24722180
5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-ol
CID 105127410

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine?
The IUPAC name of 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine (CID 170125619) is 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine is C=C(C)Cc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine?
The InChIKey is SFOXRPUTHSJEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)8-12-7-6-11(9-14-12)13(3,4)5/h6-7,9H,1,8H2,2-5H3.
What are the key properties of 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine?
5-tert-butyl-2-(2-methylprop-2-enyl)pyridine has a molecular weight of 189.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methylprop-2-enyl)pyridine is sourced from PubChem (CID 170125619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).