bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine

C69H108N6O — CID 159786538

IUPACbis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)c1.COc1cccc(C(C)C)n1
InChIInChI=1S/5C12H19N.C9H13NO/c2*1-9(2)10-6-7-13-11(8-10)12(3,4)5;3*1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-7(2)8-5-4-6-9(10-8)11-3/h5*6-9H,1-5H3;4-7H,1-3H3
InChIKeyNIADBAMMWUBPRA-UHFFFAOYSA-N
MW1037.66 g/mol
LogP19.73
Rot. Bonds7

About bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine

bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine (PubChem CID 159786538) has the molecular formula C69H108N6O and a molecular weight of 1037.66 g/mol. Its IUPAC name is bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine.

Molecular Properties

Compound Namebis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine
PubChem CID159786538
Molecular FormulaC69H108N6O
Molecular Weight1037.66 g/mol
Exact Mass1036.86
IUPAC Namebis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine
SMILESCC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)c1.COc1cccc(C(C)C)n1
InChIInChI=1S/5C12H19N.C9H13NO/c2*1-9(2)10-6-7-13-11(8-10)12(3,4)5;3*1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-7(2)8-5-4-6-9(10-8)11-3/h5*6-9H,1-5H3;4-7H,1-3H3
InChIKeyNIADBAMMWUBPRA-UHFFFAOYSA-N
XLogP19.73
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.66
LogP ≤ 519.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-[(1R)-1-methoxyethyl]pyridine
CID 153483634
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
2-(2-methoxypropan-2-yl)-6-propan-2-ylpyridine
CID 170048703
2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine
CID 158122570
1,3-di(propan-2-yl)benzene;2,6-di(propan-2-yl)pyridine
CID 158378690
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane
CID 170099166
2-(4,4-dimethylpentan-2-yloxy)-6-propan-2-ylpyridine
CID 130223913
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
CID 159524432
2-amino-1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 82654871
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine?
The IUPAC name of bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine (CID 159786538) is bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine.
What is the SMILES notation for bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine?
The canonical SMILES for bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine is CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)c1.COc1cccc(C(C)C)n1.
What is the InChIKey of bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine?
The InChIKey is NIADBAMMWUBPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H19N.C9H13NO/c2*1-9(2)10-6-7-13-11(8-10)12(3,4)5;3*1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-7(2)8-5-4-6-9(10-8)11-3/h5*6-9H,1-5H3;4-7H,1-3H3.
What are the key properties of bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine?
bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine has a molecular weight of 1037.66 g/mol, XLogP of 19.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine is sourced from PubChem (CID 159786538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).