2,5-ditert-butylpyridine;propane

C16H29N — CID 158805083

IUPAC2,5-ditert-butylpyridine;propane
SMILESCC(C)(C)c1ccc(C(C)(C)C)nc1.CCC
InChIInChI=1S/C13H21N.C3H8/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-3-2/h7-9H,1-6H3;3H2,1-2H3
InChIKeyITYXKTKCLRYFPS-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.09
Rot. Bonds

About 2,5-ditert-butylpyridine;propane

2,5-ditert-butylpyridine;propane (PubChem CID 158805083) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2,5-ditert-butylpyridine;propane.

Molecular Properties

Compound Name2,5-ditert-butylpyridine;propane
PubChem CID158805083
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2,5-ditert-butylpyridine;propane
SMILESCC(C)(C)c1ccc(C(C)(C)C)nc1.CCC
InChIInChI=1S/C13H21N.C3H8/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-3-2/h7-9H,1-6H3;3H2,1-2H3
InChIKeyITYXKTKCLRYFPS-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[2-(6-tert-butyl-3-pyridinyl)propan-2-yl]-5-[2-[6-(2-methylbutan-2-yl)-3-pyridinyl]propan-2-yl]-1,3,4-oxadiazole;ethane
CID 145294764
3-tert-butyl-2H-pyrrole;2,5-ditert-butylpyridine;ethane;methane
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5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
CID 174116934
CID 174116934
1,4-ditert-butylpyrazole;2,4-ditert-butylpyridine;bis(2,5-ditert-butylpyridine)
CID 159248349
2-(5-tert-butyl-2-pyridinyl)-N,N-dimethylethanamine
CID 59446206
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CID 166963812
2-(6-tert-butyl-3-pyridinyl)acetic acid
CID 58436565
2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butylpyridine;propane?
The IUPAC name of 2,5-ditert-butylpyridine;propane (CID 158805083) is 2,5-ditert-butylpyridine;propane.
What is the SMILES notation for 2,5-ditert-butylpyridine;propane?
The canonical SMILES for 2,5-ditert-butylpyridine;propane is CC(C)(C)c1ccc(C(C)(C)C)nc1.CCC.
What is the InChIKey of 2,5-ditert-butylpyridine;propane?
The InChIKey is ITYXKTKCLRYFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C3H8/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-3-2/h7-9H,1-6H3;3H2,1-2H3.
What are the key properties of 2,5-ditert-butylpyridine;propane?
2,5-ditert-butylpyridine;propane has a molecular weight of 235.41 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butylpyridine;propane is sourced from PubChem (CID 158805083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).