ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane

C44H77N7 — CID 158586506

IUPACethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
SMILESC.CC.CC.CC.CC.CC.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ncccn1.CCc1ncncn1
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.C5H7N3.5C2H6.CH4/c1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-6-7-4-3-5-8-6;1-2-5-7-3-6-4-8-5;5*1-2;/h3-7H,2H2,1H3;2*3-6H,2H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3;5*1-2H3;1H4
InChIKeyHTWUUIUCSUUVLT-UHFFFAOYSA-N
MW704.15 g/mol
LogP12.78
Rot. Bonds5

About ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane

ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane (PubChem CID 158586506) has the molecular formula C44H77N7 and a molecular weight of 704.15 g/mol. Its IUPAC name is ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane.

Molecular Properties

Compound Nameethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
PubChem CID158586506
Molecular FormulaC44H77N7
Molecular Weight704.15 g/mol
Exact Mass703.62
IUPAC Nameethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
SMILESC.CC.CC.CC.CC.CC.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ncccn1.CCc1ncncn1
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.C5H7N3.5C2H6.CH4/c1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-6-7-4-3-5-8-6;1-2-5-7-3-6-4-8-5;5*1-2;/h3-7H,2H2,1H3;2*3-6H,2H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3;5*1-2H3;1H4
InChIKeyHTWUUIUCSUUVLT-UHFFFAOYSA-N
XLogP12.78
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.15
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
CID 159885585
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
3-ethylpyridine
CID 10823
ethane;4-ethylpyridine
CID 142005045
ethane;ethylbenzene;quinoline
CID 143401699
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
CID 169427277
ethane;2-(methoxymethyl)pyridine;3-(methoxymethyl)pyridine;4-(methoxymethyl)pyridine
CID 159508883
ethane;4-ethylpyridine;methanol
CID 143096814
ethane;ethylbenzene
CID 90887003
bis(2-methylpropylbenzene);2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine
CID 159695001
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
ethane;ethylbenzene;6-ethylquinoline
CID 143817758

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane?
The IUPAC name of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane (CID 158586506) is ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane.
What is the SMILES notation for ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane?
The canonical SMILES for ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane is C.CC.CC.CC.CC.CC.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ncccn1.CCc1ncncn1.
What is the InChIKey of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane?
The InChIKey is HTWUUIUCSUUVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H9N.C6H8N2.C5H7N3.5C2H6.CH4/c1-2-8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-6-7-4-3-5-8-6;1-2-5-7-3-6-4-8-5;5*1-2;/h3-7H,2H2,1H3;2*3-6H,2H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3;5*1-2H3;1H4.
What are the key properties of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane?
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane has a molecular weight of 704.15 g/mol, XLogP of 12.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane is sourced from PubChem (CID 158586506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).