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

C46H81N7 — CID 159885585

IUPACethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
SMILESCC.CC.CC.CC.CC.CCC.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ncccn1.CCc1ncncn1
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.C5H7N3.C3H8.5C2H6/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;1-3-2;5*1-2/h3-7H,2H2,1H3;2*3-6H,2H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3;3H2,1-2H3;5*1-2H3
InChIKeyNUCBINDVGIOENF-UHFFFAOYSA-N
MW732.20 g/mol
LogP13.56
Rot. Bonds5

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

ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane (PubChem CID 159885585) has the molecular formula C46H81N7 and a molecular weight of 732.20 g/mol. Its IUPAC name is ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane.

Molecular Properties

Compound Nameethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
PubChem CID159885585
Molecular FormulaC46H81N7
Molecular Weight732.20 g/mol
Exact Mass731.66
IUPAC Nameethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
SMILESCC.CC.CC.CC.CC.CCC.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ncccn1.CCc1ncncn1
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.C5H7N3.C3H8.5C2H6/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;1-3-2;5*1-2/h3-7H,2H2,1H3;2*3-6H,2H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3;3H2,1-2H3;5*1-2H3
InChIKeyNUCBINDVGIOENF-UHFFFAOYSA-N
XLogP13.56
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.20
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
CID 158586506
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;ethylbenzene;propane
CID 91199618
ethane;4-ethylpyridine;methanol
CID 143096814
cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine
CID 157418692
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

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane?
The IUPAC name of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane (CID 159885585) is ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane.
What is the SMILES notation for ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane?
The canonical SMILES for ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane is CC.CC.CC.CC.CC.CCC.CCc1ccccc1.CCc1cccnc1.CCc1ccncc1.CCc1ncccn1.CCc1ncncn1.
What is the InChIKey of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane?
The InChIKey is NUCBINDVGIOENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H9N.C6H8N2.C5H7N3.C3H8.5C2H6/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;1-3-2;5*1-2/h3-7H,2H2,1H3;2*3-6H,2H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3;3H2,1-2H3;5*1-2H3.
What are the key properties of ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane?
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane has a molecular weight of 732.20 g/mol, XLogP of 13.56, 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;propane is sourced from PubChem (CID 159885585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).