2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane

C60H114N4 — CID 71260721

IUPAC2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane
SMILESCCCC(C(C)CCC(C)C1CN(CC)C(CCC2CCCCC2)N1)C1CCCCC1C(CCC)C(CCC)C1CCCCC1C(CCC)C1CCC(C2CNCCCCCN2)CC1
InChIInChI=1S/C60H114N4/c1-8-23-50(45(6)33-34-46(7)59-44-64(12-5)60(63-59)40-35-47-27-15-13-16-28-47)54-29-17-19-31-56(54)52(25-10-3)53(26-11-4)57-32-20-18-30-55(57)51(24-9-2)48-36-38-49(39-37-48)58-43-61-41-21-14-22-42-62-58/h45-63H,8-44H2,1-7H3
InChIKeyYFXLBQHRUVTRMZ-UHFFFAOYSA-N
MW891.60 g/mol
LogP15.84
Rot. Bonds24

About 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane

2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane (PubChem CID 71260721) has the molecular formula C60H114N4 and a molecular weight of 891.60 g/mol. Its IUPAC name is 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane.

Molecular Properties

Compound Name2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane
PubChem CID71260721
Molecular FormulaC60H114N4
Molecular Weight891.60 g/mol
Exact Mass890.90
IUPAC Name2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane
SMILESCCCC(C(C)CCC(C)C1CN(CC)C(CCC2CCCCC2)N1)C1CCCCC1C(CCC)C(CCC)C1CCCCC1C(CCC)C1CCC(C2CNCCCCCN2)CC1
InChIInChI=1S/C60H114N4/c1-8-23-50(45(6)33-34-46(7)59-44-64(12-5)60(63-59)40-35-47-27-15-13-16-28-47)54-29-17-19-31-56(54)52(25-10-3)53(26-11-4)57-32-20-18-30-55(57)51(24-9-2)48-36-38-49(39-37-48)58-43-61-41-21-14-22-42-62-58/h45-63H,8-44H2,1-7H3
InChIKeyYFXLBQHRUVTRMZ-UHFFFAOYSA-N
XLogP15.84
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.60
LogP ≤ 515.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane?
The IUPAC name of 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane (CID 71260721) is 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane.
What is the SMILES notation for 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane?
The canonical SMILES for 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane is CCCC(C(C)CCC(C)C1CN(CC)C(CCC2CCCCC2)N1)C1CCCCC1C(CCC)C(CCC)C1CCCCC1C(CCC)C1CCC(C2CNCCCCCN2)CC1.
What is the InChIKey of 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane?
The InChIKey is YFXLBQHRUVTRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H114N4/c1-8-23-50(45(6)33-34-46(7)59-44-64(12-5)60(63-59)40-35-47-27-15-13-16-28-47)54-29-17-19-31-56(54)52(25-10-3)53(26-11-4)57-32-20-18-30-55(57)51(24-9-2)48-36-38-49(39-37-48)58-43-61-41-21-14-22-42-62-58/h45-63H,8-44H2,1-7H3.
What are the key properties of 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane?
2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane has a molecular weight of 891.60 g/mol, XLogP of 15.84, 24 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[2-[5-[2-[8-[2-(2-cyclohexylethyl)-1-ethylimidazolidin-4-yl]-5-methylnonan-4-yl]cyclohexyl]octan-4-yl]cyclohexyl]butyl]cyclohexyl]-1,4-diazonane is sourced from PubChem (CID 71260721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).