3-tert-butyl-5-(3,3-dimethylbutyl)pyridine

C15H25N — CID 139460121

IUPAC3-tert-butyl-5-(3,3-dimethylbutyl)pyridine
SMILESCC(C)(C)CCc1cncc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-14(2,3)8-7-12-9-13(11-16-10-12)15(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyPWZCZVQKIDEUTP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.36
Rot. Bonds2

About 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine

3-tert-butyl-5-(3,3-dimethylbutyl)pyridine (PubChem CID 139460121) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-(3,3-dimethylbutyl)pyridine
PubChem CID139460121
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-tert-butyl-5-(3,3-dimethylbutyl)pyridine
SMILESCC(C)(C)CCc1cncc(C(C)(C)C)c1
InChIInChI=1S/C15H25N/c1-14(2,3)8-7-12-9-13(11-16-10-12)15(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyPWZCZVQKIDEUTP-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine
CID 142361308
3-(5-tert-butyl-3-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 160820671
(4S)-4-amino-1-(5-tert-butyl-3-pyridinyl)-5-methylhexan-3-one
CID 162143785
3-(3,3-dimethylbutyl)quinoline
CID 58808300
[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
CID 142361247
2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole
CID 139460131
3-ethyl-5-(2-fluoropropan-2-yl)pyridine
CID 165143705
3-(2,2-dimethylpropyl)-5-propylpyridine
CID 129191291
3-tert-butyl-5-(2-methylbutan-2-yl)pyridine
CID 130358152
5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane
CID 142361365
3-ethyl-5-(2-methoxypropan-2-yl)pyridine
CID 121401168
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 115008941

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine?
The IUPAC name of 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine (CID 139460121) is 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine.
What is the SMILES notation for 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine?
The canonical SMILES for 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine is CC(C)(C)CCc1cncc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine?
The InChIKey is PWZCZVQKIDEUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-14(2,3)8-7-12-9-13(11-16-10-12)15(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine?
3-tert-butyl-5-(3,3-dimethylbutyl)pyridine has a molecular weight of 219.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3,3-dimethylbutyl)pyridine is sourced from PubChem (CID 139460121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).