(E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine

C37H47N — CID 88530092

IUPAC(E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1C=CC(C2CCC(C3CC=C(C4CC=C5CCCCC5C4)CC3)=C3C=CC=CC32)=CC1
InChIInChI=1S/C37H47N/c38-25-7-1-2-8-27-13-15-30(16-14-27)34-23-24-35(37-12-6-5-11-36(34)37)31-20-17-29(18-21-31)33-22-19-28-9-3-4-10-32(28)26-33/h2,5-6,8,11-13,15-17,19,25,27,31-34,36,38H,1,3-4,7,9-10,14,18,20-24,26H2/b8-2+,38-25+
InChIKeyKDRNGMHZROBZSV-ZTZVQCBOSA-N
MW505.79 g/mol
LogP10.18
Rot. Bonds7

About (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine

(E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine (PubChem CID 88530092) has the molecular formula C37H47N and a molecular weight of 505.79 g/mol. Its IUPAC name is (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine.

Molecular Properties

Compound Name(E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine
PubChem CID88530092
Molecular FormulaC37H47N
Molecular Weight505.79 g/mol
Exact Mass505.37
IUPAC Name(E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine
SMILES[H]/N=C/CC/C=C/C1C=CC(C2CCC(C3CC=C(C4CC=C5CCCCC5C4)CC3)=C3C=CC=CC32)=CC1
InChIInChI=1S/C37H47N/c38-25-7-1-2-8-27-13-15-30(16-14-27)34-23-24-35(37-12-6-5-11-36(34)37)31-20-17-29(18-21-31)33-22-19-28-9-3-4-10-32(28)26-33/h2,5-6,8,11-13,15-17,19,25,27,31-34,36,38H,1,3-4,7,9-10,14,18,20-24,26H2/b8-2+,38-25+
InChIKeyKDRNGMHZROBZSV-ZTZVQCBOSA-N
XLogP10.18
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.79
LogP ≤ 510.18
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-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67951663
CID 67951663
CID 67951724
CID 67951724
CID 68316127
CID 68316127
CID 88488100
CID 88488100
CID 88488387
CID 88488387
CID 88488396
CID 88488396
CID 88529953
CID 88529953
CID 88529999
CID 88529999
CID 88530009
CID 88530009
CID 88530026
CID 88530026
CID 88530027
CID 88530027
CID 88530028
CID 88530028

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
The IUPAC name of (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine (CID 88530092) is (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine.
What is the SMILES notation for (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
The canonical SMILES for (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine is [H]/N=C/CC/C=C/C1C=CC(C2CCC(C3CC=C(C4CC=C5CCCCC5C4)CC3)=C3C=CC=CC32)=CC1.
What is the InChIKey of (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
The InChIKey is KDRNGMHZROBZSV-ZTZVQCBOSA-N. The full InChI is InChI=1S/C37H47N/c38-25-7-1-2-8-27-13-15-30(16-14-27)34-23-24-35(37-12-6-5-11-36(34)37)31-20-17-29(18-21-31)33-22-19-28-9-3-4-10-32(28)26-33/h2,5-6,8,11-13,15-17,19,25,27,31-34,36,38H,1,3-4,7,9-10,14,18,20-24,26H2/b8-2+,38-25+.
What are the key properties of (E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine?
(E)-5-[4-[4-[4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine has a molecular weight of 505.79 g/mol, XLogP of 10.18, 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-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine is sourced from PubChem (CID 88530092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).