5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane

C15H28N2 — CID 142361365

IUPAC5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane
SMILESCC.CC(C)c1cc(CCC(C)(C)C)cnn1
InChIInChI=1S/C13H22N2.C2H6/c1-10(2)12-8-11(9-14-15-12)6-7-13(3,4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H3
InChIKeyFGGYOYGWVXDHJA-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.60
Rot. Bonds3

About 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane

5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane (PubChem CID 142361365) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane
PubChem CID142361365
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane
SMILESCC.CC(C)c1cc(CCC(C)(C)C)cnn1
InChIInChI=1S/C13H22N2.C2H6/c1-10(2)12-8-11(9-14-15-12)6-7-13(3,4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H3
InChIKeyFGGYOYGWVXDHJA-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
CID 142361247
ethane;5-methyl-3-propan-2-ylpyridazine
CID 144528094
2-(3,3-dimethylbutyl)-6-propan-2-ylpyrazine;ethane
CID 142361241
3,5-di(propan-2-yl)pyridazine
CID 21037378
5-chloro-3-propan-2-ylpyridazine
CID 117106924
ethane;5-methoxy-3-propan-2-ylpyridazine
CID 166553087
3-tert-butyl-5-(3,3-dimethylbutyl)pyridine
CID 139460121
[5-(3,3-dimethylbutyl)-3-pyridinyl]methanamine
CID 142361308
1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
CID 171834483
5-methoxy-3-propan-2-ylpyridazine
CID 122547241
3-(3,3-dimethylbutyl)quinoline
CID 58808300
3-tert-butyl-5-propan-2-yl-1,2,4-triazine
CID 170117285

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane?
The IUPAC name of 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane (CID 142361365) is 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane?
The canonical SMILES for 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane is CC.CC(C)c1cc(CCC(C)(C)C)cnn1.
What is the InChIKey of 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane?
The InChIKey is FGGYOYGWVXDHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6/c1-10(2)12-8-11(9-14-15-12)6-7-13(3,4)5;1-2/h8-10H,6-7H2,1-5H3;1-2H3.
What are the key properties of 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane?
5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane has a molecular weight of 236.40 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-3-propan-2-ylpyridazine;ethane is sourced from PubChem (CID 142361365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).