(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine

C37H53N — CID 88530102

IUPAC(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1CCC(C2CCC(C3CC=C(C4CC=CCC4)CC3)C3CCCCC23)=C2C=CCCC21
InChIInChI=1S/C37H53N/c38-26-10-2-5-13-29-22-23-36(33-15-7-6-14-31(29)33)37-25-24-32(34-16-8-9-17-35(34)37)30-20-18-28(19-21-30)27-11-3-1-4-12-27/h1,3,5,7,13,15,18,26-27,29-32,34-35,37-38H,2,4,6,8-12,14,16-17,19-25H2/b13-5+,38-26+
InChIKeyVYPNYCGXMDKLCD-KLSNXEIPSA-N
MW511.84 g/mol
LogP10.56
Rot. Bonds7

About (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine

(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine (PubChem CID 88530102) has the molecular formula C37H53N and a molecular weight of 511.84 g/mol. Its IUPAC name is (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine.

Molecular Properties

Compound Name(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine
PubChem CID88530102
Molecular FormulaC37H53N
Molecular Weight511.84 g/mol
Exact Mass511.42
IUPAC Name(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1CCC(C2CCC(C3CC=C(C4CC=CCC4)CC3)C3CCCCC23)=C2C=CCCC21
InChIInChI=1S/C37H53N/c38-26-10-2-5-13-29-22-23-36(33-15-7-6-14-31(29)33)37-25-24-32(34-16-8-9-17-35(34)37)30-20-18-28(19-21-30)27-11-3-1-4-12-27/h1,3,5,7,13,15,18,26-27,29-32,34-35,37-38H,2,4,6,8-12,14,16-17,19-25H2/b13-5+,38-26+
InChIKeyVYPNYCGXMDKLCD-KLSNXEIPSA-N
XLogP10.56
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.84
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine?
The IUPAC name of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine (CID 88530102) is (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine.
What is the SMILES notation for (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine?
The canonical SMILES for (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine is [H]/N=C/CC/C=C/C1CCC(C2CCC(C3CC=C(C4CC=CCC4)CC3)C3CCCCC23)=C2C=CCCC21.
What is the InChIKey of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine?
The InChIKey is VYPNYCGXMDKLCD-KLSNXEIPSA-N. The full InChI is InChI=1S/C37H53N/c38-26-10-2-5-13-29-22-23-36(33-15-7-6-14-31(29)33)37-25-24-32(34-16-8-9-17-35(34)37)30-20-18-28(19-21-30)27-11-3-1-4-12-27/h1,3,5,7,13,15,18,26-27,29-32,34-35,37-38H,2,4,6,8-12,14,16-17,19-25H2/b13-5+,38-26+.
What are the key properties of (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine?
(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine has a molecular weight of 511.84 g/mol, XLogP of 10.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]pent-4-en-1-imine is sourced from PubChem (CID 88530102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).