2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol

C52H92N2O2 — CID 140532940

IUPAC2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol
SMILESOCCC1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCC(N(C4CCC(CCO)CC4)C4CCC(C5CCCCC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C52H92N2O2/c55-37-35-39-11-23-47(24-12-39)53(49-27-15-43(16-28-49)41-7-3-1-4-8-41)51-31-19-45(20-32-51)46-21-33-52(34-22-46)54(48-25-13-40(14-26-48)36-38-56)50-29-17-44(18-30-50)42-9-5-2-6-10-42/h39-52,55-56H,1-38H2
InChIKeyHEIPOWUPQLGWSC-UHFFFAOYSA-N
MW777.32 g/mol
LogP12.87
Rot. Bonds13

About 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol

2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol (PubChem CID 140532940) has the molecular formula C52H92N2O2 and a molecular weight of 777.32 g/mol. Its IUPAC name is 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol
PubChem CID140532940
Molecular FormulaC52H92N2O2
Molecular Weight777.32 g/mol
Exact Mass776.72
IUPAC Name2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol
SMILESOCCC1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCC(N(C4CCC(CCO)CC4)C4CCC(C5CCCCC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C52H92N2O2/c55-37-35-39-11-23-47(24-12-39)53(49-27-15-43(16-28-49)41-7-3-1-4-8-41)51-31-19-45(20-32-51)46-21-33-52(34-22-46)54(48-25-13-40(14-26-48)36-38-56)50-29-17-44(18-30-50)42-9-5-2-6-10-42/h39-52,55-56H,1-38H2
InChIKeyHEIPOWUPQLGWSC-UHFFFAOYSA-N
XLogP12.87
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.32
LogP ≤ 512.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxyethyl 3-[4-[(4-cyclohexyloxycyclohexyl)-[4-[4-[(4-cyclohexyloxycyclohexyl)-[4-[3-(2-hydroxyethoxy)-3-oxopropyl]cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]propanoate
CID 140511070
2-[(3R)-3-cyclopentylcyclohexyl]ethanol
CID 163418407
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 71204200
N,N-dicyclohexylcyclohexanamine
CID 175770337
N,N-dicyclohexyl-4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexan-1-amine
CID 140503095
N-[4-[4-[[4-[4-[[4-[4-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl(cyclohexyl)amino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 170101439
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
3-(2-cycloheptylethyl)-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 90780974
N-cyclopropyl-N-[4-(2-hydroxyethyl)cyclohexyl]formamide
CID 143724472
1-cyclohexyl-4-(cyclopropylmethyl)cyclohexane
CID 143182183

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol?
The IUPAC name of 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol (CID 140532940) is 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol?
The canonical SMILES for 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol is OCCC1CCC(N(C2CCC(C3CCCCC3)CC2)C2CCC(C3CCC(N(C4CCC(CCO)CC4)C4CCC(C5CCCCC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol?
The InChIKey is HEIPOWUPQLGWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H92N2O2/c55-37-35-39-11-23-47(24-12-39)53(49-27-15-43(16-28-49)41-7-3-1-4-8-41)51-31-19-45(20-32-51)46-21-33-52(34-22-46)54(48-25-13-40(14-26-48)36-38-56)50-29-17-44(18-30-50)42-9-5-2-6-10-42/h39-52,55-56H,1-38H2.
What are the key properties of 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol?
2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol has a molecular weight of 777.32 g/mol, XLogP of 12.87, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol is sourced from PubChem (CID 140532940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).