methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C18H30N2 — CID 177028413

IUPACmethane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESC.C.CC(C)c1cccnc1.CC(C)c1ccncc1
InChIInChI=1S/2C8H11N.2CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;;/h2*3-7H,1-2H3;2*1H4
InChIKeyHXEMEACAWPDCGE-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.68
Rot. Bonds2

About methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine

methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 177028413) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Namemethane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID177028413
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Namemethane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESC.C.CC(C)c1cccnc1.CC(C)c1ccncc1
InChIInChI=1S/2C8H11N.2CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;;/h2*3-7H,1-2H3;2*1H4
InChIKeyHXEMEACAWPDCGE-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158880002
cumene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene
CID 158523249
2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
ethane;methane;2-propan-2-ylpyrazine;3-propan-2-ylpyridine
CID 161329033
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159280062
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
2-phenyl-5-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 177029893
hexakis(carbon dioxide);bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine
CID 158081858

Frequently Asked Questions

What is the IUPAC name of methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 177028413) is methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine is C.C.CC(C)c1cccnc1.CC(C)c1ccncc1.
What is the InChIKey of methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is HXEMEACAWPDCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.2CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;;/h2*3-7H,1-2H3;2*1H4.
What are the key properties of methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 274.45 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 177028413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).