1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine

C20H36N2 — CID 158993634

IUPAC1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine
SMILESC=C1C=CC(C)=CN1C.CC.CC.CC.Cc1cccnc1
InChIInChI=1S/C8H11N.C6H7N.3C2H6/c1-7-4-5-8(2)9(3)6-7;1-6-3-2-4-7-5-6;3*1-2/h4-6H,2H2,1,3H3;2-5H,1H3;3*1-2H3
InChIKeyJQLWTWXLKSKEHE-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.37
Rot. Bonds

About 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine

1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine (PubChem CID 158993634) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine.

Molecular Properties

Compound Name1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine
PubChem CID158993634
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine
SMILESC=C1C=CC(C)=CN1C.CC.CC.CC.Cc1cccnc1
InChIInChI=1S/C8H11N.C6H7N.3C2H6/c1-7-4-5-8(2)9(3)6-7;1-6-3-2-4-7-5-6;3*1-2/h4-6H,2H2,1,3H3;2-5H,1H3;3*1-2H3
InChIKeyJQLWTWXLKSKEHE-UHFFFAOYSA-N
XLogP6.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methylpyridine;hydroiodide
CID 143140941
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
3-methylpyridine;4-methylpyridine
CID 21425791
1-methylimidazole;3-methylpyridine
CID 143623927
3-chloropyridine;3-methylpyridine
CID 174960532
ethane;2-methylpyrazine;2-methylpyridine;3-methylpyridine
CID 167693533

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine?
The IUPAC name of 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine (CID 158993634) is 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine.
What is the SMILES notation for 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine?
The canonical SMILES for 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine is C=C1C=CC(C)=CN1C.CC.CC.CC.Cc1cccnc1.
What is the InChIKey of 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine?
The InChIKey is JQLWTWXLKSKEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6H7N.3C2H6/c1-7-4-5-8(2)9(3)6-7;1-6-3-2-4-7-5-6;3*1-2/h4-6H,2H2,1,3H3;2-5H,1H3;3*1-2H3.
What are the key properties of 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine?
1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine has a molecular weight of 304.52 g/mol, XLogP of 6.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-methylidenepyridine;ethane;3-methylpyridine is sourced from PubChem (CID 158993634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).