tris(ethylcyclohexane);tetrakis(1-ethylpiperidine)

C52H108N4 — CID 161186759

IUPACtris(ethylcyclohexane);tetrakis(1-ethylpiperidine)
SMILESCCC1CCCCC1.CCC1CCCCC1.CCC1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C8H16.4C7H15N/c7*1-2-8-6-4-3-5-7-8/h3*8H,2-7H2,1H3;4*2-7H2,1H3
InChIKeyUTEKFWGJBZZFPQ-UHFFFAOYSA-N
MW789.46 g/mol
LogP14.90
Rot. Bonds7

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

tris(ethylcyclohexane);tetrakis(1-ethylpiperidine) (PubChem CID 161186759) has the molecular formula C52H108N4 and a molecular weight of 789.46 g/mol. Its IUPAC name is tris(ethylcyclohexane);tetrakis(1-ethylpiperidine).

Molecular Properties

Compound Nametris(ethylcyclohexane);tetrakis(1-ethylpiperidine)
PubChem CID161186759
Molecular FormulaC52H108N4
Molecular Weight789.46 g/mol
Exact Mass788.86
IUPAC Nametris(ethylcyclohexane);tetrakis(1-ethylpiperidine)
SMILESCCC1CCCCC1.CCC1CCCCC1.CCC1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1
InChIInChI=1S/3C8H16.4C7H15N/c7*1-2-8-6-4-3-5-7-8/h3*8H,2-7H2,1H3;4*2-7H2,1H3
InChIKeyUTEKFWGJBZZFPQ-UHFFFAOYSA-N
XLogP14.90
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.46
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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)?
The IUPAC name of tris(ethylcyclohexane);tetrakis(1-ethylpiperidine) (CID 161186759) is tris(ethylcyclohexane);tetrakis(1-ethylpiperidine).
What is the SMILES notation for tris(ethylcyclohexane);tetrakis(1-ethylpiperidine)?
The canonical SMILES for tris(ethylcyclohexane);tetrakis(1-ethylpiperidine) is CCC1CCCCC1.CCC1CCCCC1.CCC1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.CCN1CCCCC1.
What is the InChIKey of tris(ethylcyclohexane);tetrakis(1-ethylpiperidine)?
The InChIKey is UTEKFWGJBZZFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H16.4C7H15N/c7*1-2-8-6-4-3-5-7-8/h3*8H,2-7H2,1H3;4*2-7H2,1H3.
What are the key properties of tris(ethylcyclohexane);tetrakis(1-ethylpiperidine)?
tris(ethylcyclohexane);tetrakis(1-ethylpiperidine) has a molecular weight of 789.46 g/mol, XLogP of 14.90, 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) is sourced from PubChem (CID 161186759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).