ethane;methane;3-methylpyridine;toluene;1,4-xylene

C25H39N — CID 159514301

IUPACethane;methane;3-methylpyridine;toluene;1,4-xylene
SMILESC.C.CC.Cc1ccc(C)cc1.Cc1ccccc1.Cc1cccnc1
InChIInChI=1S/C8H10.C7H8.C6H7N.C2H6.2CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-2;;/h3-6H,1-2H3;2-6H,1H3;2-5H,1H3;1-2H3;2*1H4
InChIKeyMAZHTKKVZLZRGF-UHFFFAOYSA-N
MW353.59 g/mol
LogP7.99
Rot. Bonds

About ethane;methane;3-methylpyridine;toluene;1,4-xylene

ethane;methane;3-methylpyridine;toluene;1,4-xylene (PubChem CID 159514301) has the molecular formula C25H39N and a molecular weight of 353.59 g/mol. Its IUPAC name is ethane;methane;3-methylpyridine;toluene;1,4-xylene.

Molecular Properties

Compound Nameethane;methane;3-methylpyridine;toluene;1,4-xylene
PubChem CID159514301
Molecular FormulaC25H39N
Molecular Weight353.59 g/mol
Exact Mass353.31
IUPAC Nameethane;methane;3-methylpyridine;toluene;1,4-xylene
SMILESC.C.CC.Cc1ccc(C)cc1.Cc1ccccc1.Cc1cccnc1
InChIInChI=1S/C8H10.C7H8.C6H7N.C2H6.2CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-2;;/h3-6H,1-2H3;2-6H,1H3;2-5H,1H3;1-2H3;2*1H4
InChIKeyMAZHTKKVZLZRGF-UHFFFAOYSA-N
XLogP7.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methylpyridine;toluene;1,4-xylene?
The IUPAC name of ethane;methane;3-methylpyridine;toluene;1,4-xylene (CID 159514301) is ethane;methane;3-methylpyridine;toluene;1,4-xylene.
What is the SMILES notation for ethane;methane;3-methylpyridine;toluene;1,4-xylene?
The canonical SMILES for ethane;methane;3-methylpyridine;toluene;1,4-xylene is C.C.CC.Cc1ccc(C)cc1.Cc1ccccc1.Cc1cccnc1.
What is the InChIKey of ethane;methane;3-methylpyridine;toluene;1,4-xylene?
The InChIKey is MAZHTKKVZLZRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H8.C6H7N.C2H6.2CH4/c1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-2;;/h3-6H,1-2H3;2-6H,1H3;2-5H,1H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;3-methylpyridine;toluene;1,4-xylene?
ethane;methane;3-methylpyridine;toluene;1,4-xylene has a molecular weight of 353.59 g/mol, XLogP of 7.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methylpyridine;toluene;1,4-xylene is sourced from PubChem (CID 159514301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).