5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine

C22H35N3 — CID 159952888

IUPAC5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine
SMILESCC(C)c1ccc(C(C)(C)C)cn1.CC(C)c1ccc(C(C)C)nn1
InChIInChI=1S/C12H19N.C10H16N2/c1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-7(2)9-5-6-10(8(3)4)12-11-9/h6-9H,1-5H3;5-8H,1-4H3
InChIKeyOCILRWGHHRLIQE-UHFFFAOYSA-N
MW341.54 g/mol
LogP6.23
Rot. Bonds3

About 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine

5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine (PubChem CID 159952888) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine
PubChem CID159952888
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine
SMILESCC(C)c1ccc(C(C)(C)C)cn1.CC(C)c1ccc(C(C)C)nn1
InChIInChI=1S/C12H19N.C10H16N2/c1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-7(2)9-5-6-10(8(3)4)12-11-9/h6-9H,1-5H3;5-8H,1-4H3
InChIKeyOCILRWGHHRLIQE-UHFFFAOYSA-N
XLogP6.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,1-difluoroethyl)-2-propan-2-ylpyridine
CID 122532891
5-(2-iodopropan-2-yl)-2-propan-2-ylpyridine
CID 177134609
ethane;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol
CID 142544002
1-tert-butyl-4-propan-2-ylbenzene;2,5-ditert-butylpyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;bis(2,5-di(propan-2-yl)pyrimidine)
CID 158824456
1-tert-butyl-4-propan-2-ylbenzene;2,5-ditert-butylpyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;2,5-di(propan-2-yl)pyridine;bis(2,5-di(propan-2-yl)pyrimidine);methane
CID 159588138
5-tert-butyl-2-(1-ethoxyethyl)pyridine
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5-[(2-methylpropan-2-yl)oxy]-2-propan-2-ylpyridine
CID 59278573
ethane;5-methyl-2-propan-2-ylpyridine
CID 178109062
2-butan-2-yl-5-(2-methylbutan-2-yl)pyridine
CID 90395896
1,4-di(propan-2-yl)benzene;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);ethane
CID 158024668
5-chloro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159973347
N-ethyl-6-propan-2-ylpyridin-3-amine
CID 20605692

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine?
The IUPAC name of 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine (CID 159952888) is 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine.
What is the SMILES notation for 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine?
The canonical SMILES for 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine is CC(C)c1ccc(C(C)(C)C)cn1.CC(C)c1ccc(C(C)C)nn1.
What is the InChIKey of 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine?
The InChIKey is OCILRWGHHRLIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C10H16N2/c1-9(2)11-7-6-10(8-13-11)12(3,4)5;1-7(2)9-5-6-10(8(3)4)12-11-9/h6-9H,1-5H3;5-8H,1-4H3.
What are the key properties of 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine?
5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine has a molecular weight of 341.54 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-ylpyridine;3,6-di(propan-2-yl)pyridazine is sourced from PubChem (CID 159952888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).