3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane

C13H25NS — CID 156733266

IUPAC3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane
SMILESCCC.Cc1ccnc(C(C)C)c1C.S
InChIInChI=1S/C10H15N.C3H8.H2S/c1-7(2)10-9(4)8(3)5-6-11-10;1-3-2;/h5-7H,1-4H3;3H2,1-2H3;1H2
InChIKeyJNHUBZLRJKORMQ-UHFFFAOYSA-N
MW227.42 g/mol
LogP4.35
Rot. Bonds1

About 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane

3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane (PubChem CID 156733266) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane.

Molecular Properties

Compound Name3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane
PubChem CID156733266
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane
SMILESCCC.Cc1ccnc(C(C)C)c1C.S
InChIInChI=1S/C10H15N.C3H8.H2S/c1-7(2)10-9(4)8(3)5-6-11-10;1-3-2;/h5-7H,1-4H3;3H2,1-2H3;1H2
InChIKeyJNHUBZLRJKORMQ-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethyl-2-pyridinyl)ethanamine;hydrochloride
CID 175402454
4-methoxy-3-methyl-2-propan-2-ylpyridine
CID 130295970
3-methyl-2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 69024684
1,8-di(propan-2-yl)-2,7-naphthyridine
CID 170669033
2-butan-2-yl-4-methyl-3-nitrosopyridine
CID 167079233
2-[3-(2,4-dimethyl-3-pyridinyl)butyl]-3-propan-2-ylpyrazine
CID 166970309
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
2-(difluoromethyl)-3-methyl-4-propan-2-ylpyridine
CID 170194877
3-(2-methylphenyl)-2-propan-2-ylpyridine
CID 90162287
ethane;2-ethyl-3-propan-2-ylpyrazine
CID 145260795
CID 175407566
CID 175407566
3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)pyridine
CID 154662162

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane?
The IUPAC name of 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane (CID 156733266) is 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane.
What is the SMILES notation for 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane?
The canonical SMILES for 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane is CCC.Cc1ccnc(C(C)C)c1C.S.
What is the InChIKey of 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane?
The InChIKey is JNHUBZLRJKORMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C3H8.H2S/c1-7(2)10-9(4)8(3)5-6-11-10;1-3-2;/h5-7H,1-4H3;3H2,1-2H3;1H2.
What are the key properties of 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane?
3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane has a molecular weight of 227.42 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-propan-2-ylpyridine;propane;sulfane is sourced from PubChem (CID 156733266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).