N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine

C52H75N — CID 67951526

IUPACN-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine
SMILESCCCC/C=C(\CC)C1CC=C(C2=C3C=CCCC3C(C(C)C/C=C(\CNC3=C4CCCCC4=CCC3)C3=CCCC(C4CC=CCC4)C3)CC2)CC1
InChIInChI=1S/C52H75N/c1-4-6-8-17-39(5-2)41-30-32-43(33-31-41)48-35-34-47(50-25-13-14-26-51(48)50)38(3)28-29-46(37-53-52-27-16-21-42-20-11-12-24-49(42)52)45-23-15-22-44(36-45)40-18-9-7-10-19-40/h7,9,14,17,21,23,26,29,32,38,40-41,44,47,50,53H,4-6,8,10-13,15-16,18-20,22,24-25,27-28,30-31,33-37H2,1-3H3/b39-17+,46-29+
InChIKeyDIIODFHTJNMQGW-SNRZWYPXSA-N
MW714.18 g/mol
LogP15.09
Rot. Bonds14

About N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine

N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine (PubChem CID 67951526) has the molecular formula C52H75N and a molecular weight of 714.18 g/mol. Its IUPAC name is N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine
PubChem CID67951526
Molecular FormulaC52H75N
Molecular Weight714.18 g/mol
Exact Mass713.59
IUPAC NameN-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine
SMILESCCCC/C=C(\CC)C1CC=C(C2=C3C=CCCC3C(C(C)C/C=C(\CNC3=C4CCCCC4=CCC3)C3=CCCC(C4CC=CCC4)C3)CC2)CC1
InChIInChI=1S/C52H75N/c1-4-6-8-17-39(5-2)41-30-32-43(33-31-41)48-35-34-47(50-25-13-14-26-51(48)50)38(3)28-29-46(37-53-52-27-16-21-42-20-11-12-24-49(42)52)45-23-15-22-44(36-45)40-18-9-7-10-19-40/h7,9,14,17,21,23,26,29,32,38,40-41,44,47,50,53H,4-6,8,10-13,15-16,18-20,22,24-25,27-28,30-31,33-37H2,1-3H3/b39-17+,46-29+
InChIKeyDIIODFHTJNMQGW-SNRZWYPXSA-N
XLogP15.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.18
LogP ≤ 515.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine?
The IUPAC name of N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine (CID 67951526) is N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine.
What is the SMILES notation for N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine?
The canonical SMILES for N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine is CCCC/C=C(\CC)C1CC=C(C2=C3C=CCCC3C(C(C)C/C=C(\CNC3=C4CCCCC4=CCC3)C3=CCCC(C4CC=CCC4)C3)CC2)CC1.
What is the InChIKey of N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine?
The InChIKey is DIIODFHTJNMQGW-SNRZWYPXSA-N. The full InChI is InChI=1S/C52H75N/c1-4-6-8-17-39(5-2)41-30-32-43(33-31-41)48-35-34-47(50-25-13-14-26-51(48)50)38(3)28-29-46(37-53-52-27-16-21-42-20-11-12-24-49(42)52)45-23-15-22-44(36-45)40-18-9-7-10-19-40/h7,9,14,17,21,23,26,29,32,38,40-41,44,47,50,53H,4-6,8,10-13,15-16,18-20,22,24-25,27-28,30-31,33-37H2,1-3H3/b39-17+,46-29+.
What are the key properties of N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine?
N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine has a molecular weight of 714.18 g/mol, XLogP of 15.09, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(5-cyclohex-3-en-1-ylcyclohexen-1-yl)-5-[4-[4-[(E)-oct-3-en-3-yl]cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]hex-2-enyl]-2,3,5,6,7,8-hexahydronaphthalen-1-amine is sourced from PubChem (CID 67951526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).