tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane

C54H116N4 — CID 159001264

IUPACtris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane
SMILESC.C.CCC1CCCCC1.CCC1CCCCC1.CCC1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C8H16.4C7H15N.2CH4/c7*1-2-8-6-4-3-5-7-8;;/h3*8H,2-7H2,1H3;4*2-7H2,1H3;2*1H4
InChIKeyJRIYXASMWUQEFV-UHFFFAOYSA-N
MW821.55 g/mol
LogP16.17
Rot. Bonds7

About tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane

tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane (PubChem CID 159001264) has the molecular formula C54H116N4 and a molecular weight of 821.55 g/mol. Its IUPAC name is tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane.

Molecular Properties

Compound Nametris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane
PubChem CID159001264
Molecular FormulaC54H116N4
Molecular Weight821.55 g/mol
Exact Mass820.92
IUPAC Nametris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane
SMILESC.C.CCC1CCCCC1.CCC1CCCCC1.CCC1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C8H16.4C7H15N.2CH4/c7*1-2-8-6-4-3-5-7-8;;/h3*8H,2-7H2,1H3;4*2-7H2,1H3;2*1H4
InChIKeyJRIYXASMWUQEFV-UHFFFAOYSA-N
XLogP16.17
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.55
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);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

3-Methyl-1-[10-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)decyl]-1-azoniabicyclo[2.2.2]octane
CID 3064222
3-Methyl-1-[9-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)nonyl]-1-azoniabicyclo[2.2.2]octane
CID 3064269
1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
5,18,25,38-Tetrazanonacyclo[36.2.2.22,5.218,21.222,25.07,12.011,16.027,32.031,36]octatetracontane
CID 58298257
7,14,25,32-Tetrazanonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentacontane
CID 58298263
5,12,19,26-Tetrazaheptacyclo[24.2.2.22,5.27,10.212,15.216,19.221,24]tetracontane
CID 58298267
5,21,28,44-Tetrazaundecacyclo[42.2.2.22,5.27,10.216,19.221,24.225,28.230,33.239,42.111,15.134,38]tetrahexacontane
CID 58298277
1-Methyl-4-[3,5,7-tris(1-methylpiperidin-4-yl)-1-adamantyl]piperidine
CID 60060475
1,4,8,11-Tetrakis(2-piperidin-1-ylethyl)-azacyclotetradecane
CID 70010037
1-[12-(1-Azoniabicyclo[2.2.2]octan-1-yl)dodecyl]-1-azoniabicyclo[2.2.2]octane;ethane
CID 91553826
1-[2-(4-Methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine
CID 135179535
1-Methyl-4-[[4-[2-[4-[2-[4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]methyl]piperidine
CID 135279336

Frequently Asked Questions

What is the IUPAC name of tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane?
The IUPAC name of tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane (CID 159001264) is tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane.
What is the SMILES notation for tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane?
The canonical SMILES for tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane is C.C.CCC1CCCCC1.CCC1CCCCC1.CCC1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.
What is the InChIKey of tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane?
The InChIKey is JRIYXASMWUQEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H16.4C7H15N.2CH4/c7*1-2-8-6-4-3-5-7-8;;/h3*8H,2-7H2,1H3;4*2-7H2,1H3;2*1H4.
What are the key properties of tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane?
tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane has a molecular weight of 821.55 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(ethylcyclohexane);tetrakis(1-ethylpiperidine);methane is sourced from PubChem (CID 159001264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).