N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine

C54H84N2 — CID 88530145

IUPACN-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine
SMILES[H]/N=C/C(CCC/C(=C/CCCC)CC)C1CCC(C(C)C/C=C(\CNC2C=CCCC2)C(C)CC(CC(C)C2=CCCCC2)C2C=CCCC2)=C2C=CC=CC21
InChIInChI=1S/C54H84N2/c1-6-8-12-22-44(7-2)23-21-28-47(39-55)52-36-35-51(53-31-19-20-32-54(52)53)41(3)33-34-48(40-56-50-29-17-11-18-30-50)43(5)38-49(46-26-15-10-16-27-46)37-42(4)45-24-13-9-14-25-45/h15,17,19-20,22,24,26,29,31-32,34,39,41-43,46-47,49-50,52,54-56H,6-14,16,18,21,23,25,27-28,30,33,35-38,40H2,1-5H3/b44-22+,48-34+,55-39+
InChIKeyGFOSBEILMLCBFM-MOMJGXKDSA-N
MW761.28 g/mol
LogP15.57
Rot. Bonds23

About N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine

N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine (PubChem CID 88530145) has the molecular formula C54H84N2 and a molecular weight of 761.28 g/mol. Its IUPAC name is N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine
PubChem CID88530145
Molecular FormulaC54H84N2
Molecular Weight761.28 g/mol
Exact Mass760.66
IUPAC NameN-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine
SMILES[H]/N=C/C(CCC/C(=C/CCCC)CC)C1CCC(C(C)C/C=C(\CNC2C=CCCC2)C(C)CC(CC(C)C2=CCCCC2)C2C=CCCC2)=C2C=CC=CC21
InChIInChI=1S/C54H84N2/c1-6-8-12-22-44(7-2)23-21-28-47(39-55)52-36-35-51(53-31-19-20-32-54(52)53)41(3)33-34-48(40-56-50-29-17-11-18-30-50)43(5)38-49(46-26-15-10-16-27-46)37-42(4)45-24-13-9-14-25-45/h15,17,19-20,22,24,26,29,31-32,34,39,41-43,46-47,49-50,52,54-56H,6-14,16,18,21,23,25,27-28,30,33,35-38,40H2,1-5H3/b44-22+,48-34+,55-39+
InChIKeyGFOSBEILMLCBFM-MOMJGXKDSA-N
XLogP15.57
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.28
LogP ≤ 515.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine (CID 88530145) is N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine is [H]/N=C/C(CCC/C(=C/CCCC)CC)C1CCC(C(C)C/C=C(\CNC2C=CCCC2)C(C)CC(CC(C)C2=CCCCC2)C2C=CCCC2)=C2C=CC=CC21.
What is the InChIKey of N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine?
The InChIKey is GFOSBEILMLCBFM-MOMJGXKDSA-N. The full InChI is InChI=1S/C54H84N2/c1-6-8-12-22-44(7-2)23-21-28-47(39-55)52-36-35-51(53-31-19-20-32-54(52)53)41(3)33-34-48(40-56-50-29-17-11-18-30-50)43(5)38-49(46-26-15-10-16-27-46)37-42(4)45-24-13-9-14-25-45/h15,17,19-20,22,24,26,29,31-32,34,39,41-43,46-47,49-50,52,54-56H,6-14,16,18,21,23,25,27-28,30,33,35-38,40H2,1-5H3/b44-22+,48-34+,55-39+.
What are the key properties of N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine?
N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine has a molecular weight of 761.28 g/mol, XLogP of 15.57, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-7-(cyclohexen-1-yl)-5-cyclohex-2-en-1-yl-2-[3-[4-[(E)-6-ethyl-1-iminoundec-6-en-2-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-3-methyloctyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 88530145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).