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

C37H53N — CID 88530089

IUPAC(E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1CC=C(C2C=CC(C3CC=C(C4CCCC5CCCCC54)CC3)C3C=CCCC23)CC1
InChIInChI=1S/C37H53N/c38-26-7-1-2-9-27-16-18-29(19-17-27)34-24-25-35(37-14-6-5-13-36(34)37)31-22-20-30(21-23-31)33-15-8-11-28-10-3-4-12-32(28)33/h2,6,9,14,18,20,24-28,31-38H,1,3-5,7-8,10-13,15-17,19,21-23H2/b9-2+,38-26+
InChIKeyFGUOMEBDVSOJHY-OSFNJRCMSA-N
MW511.84 g/mol
LogP10.42
Rot. Bonds7

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

(E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine (PubChem CID 88530089) has the molecular formula C37H53N and a molecular weight of 511.84 g/mol. Its IUPAC name is (E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine.

Molecular Properties

Compound Name(E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine
PubChem CID88530089
Molecular FormulaC37H53N
Molecular Weight511.84 g/mol
Exact Mass511.42
IUPAC Name(E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1CC=C(C2C=CC(C3CC=C(C4CCCC5CCCCC54)CC3)C3C=CCCC23)CC1
InChIInChI=1S/C37H53N/c38-26-7-1-2-9-27-16-18-29(19-17-27)34-24-25-35(37-14-6-5-13-36(34)37)31-22-20-30(21-23-31)33-15-8-11-28-10-3-4-12-32(28)33/h2,6,9,14,18,20,24-28,31-38H,1,3-5,7-8,10-13,15-17,19,21-23H2/b9-2+,38-26+
InChIKeyFGUOMEBDVSOJHY-OSFNJRCMSA-N
XLogP10.42
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 ≤ 510.42
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-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-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-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine?
The IUPAC name of (E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine (CID 88530089) is (E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine.
What is the SMILES notation for (E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine?
The canonical SMILES for (E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine is [H]/N=C/CC/C=C/C1CC=C(C2C=CC(C3CC=C(C4CCCC5CCCCC54)CC3)C3C=CCCC23)CC1.
What is the InChIKey of (E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine?
The InChIKey is FGUOMEBDVSOJHY-OSFNJRCMSA-N. The full InChI is InChI=1S/C37H53N/c38-26-7-1-2-9-27-16-18-29(19-17-27)34-24-25-35(37-14-6-5-13-36(34)37)31-22-20-30(21-23-31)33-15-8-11-28-10-3-4-12-32(28)33/h2,6,9,14,18,20,24-28,31-38H,1,3-5,7-8,10-13,15-17,19,21-23H2/b9-2+,38-26+.
What are the key properties of (E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine?
(E)-5-[4-[4-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine has a molecular weight of 511.84 g/mol, XLogP of 10.42, 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-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)cyclohex-3-en-1-yl]-1,4,4a,7,8,8a-hexahydronaphthalen-1-yl]cyclohex-3-en-1-yl]pent-4-en-1-imine is sourced from PubChem (CID 88530089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).