2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane

C66H120N4 — CID 89408546

IUPAC2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane
SMILESCCCC(C1CCC(C2NC(CC)N(CC)C2C2CCCCC2)CC1)C1CCCCC1C(CCC)C1C(CC)C(CC)C(C2CCC(C3NCCCCCNC3C3CCCCC3)CC2)C2CCCCC21
InChIInChI=1S/C66H120N4/c1-7-26-54(46-36-40-50(41-37-46)65-66(51-30-18-14-19-31-51)70(12-6)60(11-5)69-65)55-32-20-21-33-56(55)57(27-8-2)62-53(10-4)52(9-3)61(58-34-22-23-35-59(58)62)47-38-42-49(43-39-47)64-63(48-28-16-13-17-29-48)67-44-24-15-25-45-68-64/h46-69H,7-45H2,1-6H3
InChIKeyZKNUQWUKUCSBIZ-UHFFFAOYSA-N
MW969.71 g/mol
LogP17.00
Rot. Bonds17

About 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane

2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane (PubChem CID 89408546) has the molecular formula C66H120N4 and a molecular weight of 969.71 g/mol. Its IUPAC name is 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane.

Molecular Properties

Compound Name2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane
PubChem CID89408546
Molecular FormulaC66H120N4
Molecular Weight969.71 g/mol
Exact Mass968.95
IUPAC Name2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane
SMILESCCCC(C1CCC(C2NC(CC)N(CC)C2C2CCCCC2)CC1)C1CCCCC1C(CCC)C1C(CC)C(CC)C(C2CCC(C3NCCCCCNC3C3CCCCC3)CC2)C2CCCCC21
InChIInChI=1S/C66H120N4/c1-7-26-54(46-36-40-50(41-37-46)65-66(51-30-18-14-19-31-51)70(12-6)60(11-5)69-65)55-32-20-21-33-56(55)57(27-8-2)62-53(10-4)52(9-3)61(58-34-22-23-35-59(58)62)47-38-42-49(43-39-47)64-63(48-28-16-13-17-29-48)67-44-24-15-25-45-68-64/h46-69H,7-45H2,1-6H3
InChIKeyZKNUQWUKUCSBIZ-UHFFFAOYSA-N
XLogP17.00
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.71
LogP ≤ 517.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane?
The IUPAC name of 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane (CID 89408546) is 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane.
What is the SMILES notation for 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane?
The canonical SMILES for 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane is CCCC(C1CCC(C2NC(CC)N(CC)C2C2CCCCC2)CC1)C1CCCCC1C(CCC)C1C(CC)C(CC)C(C2CCC(C3NCCCCCNC3C3CCCCC3)CC2)C2CCCCC21.
What is the InChIKey of 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane?
The InChIKey is ZKNUQWUKUCSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H120N4/c1-7-26-54(46-36-40-50(41-37-46)65-66(51-30-18-14-19-31-51)70(12-6)60(11-5)69-65)55-32-20-21-33-56(55)57(27-8-2)62-53(10-4)52(9-3)61(58-34-22-23-35-59(58)62)47-38-42-49(43-39-47)64-63(48-28-16-13-17-29-48)67-44-24-15-25-45-68-64/h46-69H,7-45H2,1-6H3.
What are the key properties of 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane?
2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane has a molecular weight of 969.71 g/mol, XLogP of 17.00, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[4-[4-[1-[2-[1-[4-(5-cyclohexyl-1,2-diethylimidazolidin-4-yl)cyclohexyl]butyl]cyclohexyl]butyl]-2,3-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohexyl]-1,4-diazonane is sourced from PubChem (CID 89408546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).