2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)

C42H75N3 — CID 159293267

IUPAC2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1
InChIInChI=1S/3C9H13N.3C5H12/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;3*1-5(2,3)4/h3*4-7H,1-3H3;3*1-4H3
InChIKeyLAJWLISYSWENTB-UHFFFAOYSA-N
MW622.08 g/mol
LogP13.29
Rot. Bonds

About 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)

2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane) (PubChem CID 159293267) has the molecular formula C42H75N3 and a molecular weight of 622.08 g/mol. Its IUPAC name is 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane).

Molecular Properties

Compound Name2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
PubChem CID159293267
Molecular FormulaC42H75N3
Molecular Weight622.08 g/mol
Exact Mass621.60
IUPAC Name2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1
InChIInChI=1S/3C9H13N.3C5H12/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;3*1-5(2,3)4/h3*4-7H,1-3H3;3*1-4H3
InChIKeyLAJWLISYSWENTB-UHFFFAOYSA-N
XLogP13.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.08
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)?
The IUPAC name of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane) (CID 159293267) is 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane).
What is the SMILES notation for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)?
The canonical SMILES for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.
What is the InChIKey of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)?
The InChIKey is LAJWLISYSWENTB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.3C5H12/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;3*1-5(2,3)4/h3*4-7H,1-3H3;3*1-4H3.
What are the key properties of 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)?
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane) has a molecular weight of 622.08 g/mol, XLogP of 13.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane) is sourced from PubChem (CID 159293267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).