3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene

C28H46N2 — CID 159916628

IUPAC3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene
SMILESCc1c(C)c(C(C)C)c(C)c(C(C)C)c1C.Cc1nnc(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C16H26.C12H20N2/c1-9(2)15-12(6)11(5)13(7)16(10(3)4)14(15)8;1-7(2)11-9(5)12(8(3)4)14-13-10(11)6/h9-10H,1-8H3;7-8H,1-6H3
InChIKeyNXWCBTYCDPXZKW-UHFFFAOYSA-N
MW410.69 g/mol
LogP8.51
Rot. Bonds4

About 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene

3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene (PubChem CID 159916628) has the molecular formula C28H46N2 and a molecular weight of 410.69 g/mol. Its IUPAC name is 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene.

Molecular Properties

Compound Name3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene
PubChem CID159916628
Molecular FormulaC28H46N2
Molecular Weight410.69 g/mol
Exact Mass410.37
IUPAC Name3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene
SMILESCc1c(C)c(C(C)C)c(C)c(C(C)C)c1C.Cc1nnc(C(C)C)c(C)c1C(C)C
InChIInChI=1S/C16H26.C12H20N2/c1-9(2)15-12(6)11(5)13(7)16(10(3)4)14(15)8;1-7(2)11-9(5)12(8(3)4)14-13-10(11)6/h9-10H,1-8H3;7-8H,1-6H3
InChIKeyNXWCBTYCDPXZKW-UHFFFAOYSA-N
XLogP8.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-4,5-di(propan-2-yl)pyridazine
CID 148912729
1,2,3,4,5-pentamethyl-6-propan-2-ylbenzene
CID 13359400
2,4-dimethyl-3,5,6-tri(propan-2-yl)pyridine
CID 58164622
2,3,5-trimethyl-4,6-di(propan-2-yl)pyridine
CID 58935885
methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,4,6-tetramethyl-5-propan-2-ylpyridine;2,3,5,6-tetramethyl-4-propan-2-ylpyridine
CID 164992574
2,5-dimethyl-3,6-di(propan-2-yl)pyrazine;1,2,4,5-tetramethyl-3,6-di(propan-2-yl)benzene;bis(2,4,5-trimethyl-3,6-di(propan-2-yl)pyridine);tetrakis(yttrium)
CID 161444626
2,6-dimethyl-3,5-di(propan-2-yl)pyrazine;4,5-dimethyl-2,6-di(propan-2-yl)pyrimidine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene;bis(2,3,5-trimethyl-4,6-di(propan-2-yl)pyridine);2,4,6-trimethyl-3,5-di(propan-2-yl)pyridine;3,4,5-trimethyl-2,6-di(propan-2-yl)pyridine
CID 164995532
1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
CID 159127146
4,5-dimethyl-3,6-di(propan-2-yl)pyridazine;1,4-di(propan-2-yl)benzene
CID 160536856
2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline
CID 157183608
2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;3,4,5-trimethyl-6-propan-2-ylpyridazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
CID 159133858
2,3,4,5-tetramethyl-6-propan-2-ylpyridine
CID 21340844

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene?
The IUPAC name of 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene (CID 159916628) is 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene.
What is the SMILES notation for 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene?
The canonical SMILES for 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene is Cc1c(C)c(C(C)C)c(C)c(C(C)C)c1C.Cc1nnc(C(C)C)c(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene?
The InChIKey is NXWCBTYCDPXZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C12H20N2/c1-9(2)15-12(6)11(5)13(7)16(10(3)4)14(15)8;1-7(2)11-9(5)12(8(3)4)14-13-10(11)6/h9-10H,1-8H3;7-8H,1-6H3.
What are the key properties of 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene?
3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene has a molecular weight of 410.69 g/mol, XLogP of 8.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4,6-di(propan-2-yl)pyridazine;1,2,3,5-tetramethyl-4,6-di(propan-2-yl)benzene is sourced from PubChem (CID 159916628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).