(Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine

C37H51N — CID 88530228

IUPAC(Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine
SMILES[H]/N=C/C=C\CCC1=CC(C2CCC(C3CCC(C4=CCC5C=CC=CC5C4)CC3)C3CCC=CC23)CCC1
InChIInChI=1S/C37H51N/c38-24-7-1-2-9-27-10-8-13-33(25-27)35-23-22-34(36-14-5-6-15-37(35)36)30-19-16-29(17-20-30)32-21-18-28-11-3-4-12-31(28)26-32/h1,3-4,6-7,11-12,15,21,24-25,28-31,33-38H,2,5,8-10,13-14,16-20,22-23,26H2/b7-1-,38-24+
InChIKeyIEGNYGWVTFUNRS-GLSPCYEASA-N
MW509.82 g/mol
LogP10.19
Rot. Bonds7

About (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine

(Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine (PubChem CID 88530228) has the molecular formula C37H51N and a molecular weight of 509.82 g/mol. Its IUPAC name is (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine
PubChem CID88530228
Molecular FormulaC37H51N
Molecular Weight509.82 g/mol
Exact Mass509.40
IUPAC Name(Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine
SMILES[H]/N=C/C=C\CCC1=CC(C2CCC(C3CCC(C4=CCC5C=CC=CC5C4)CC3)C3CCC=CC23)CCC1
InChIInChI=1S/C37H51N/c38-24-7-1-2-9-27-10-8-13-33(25-27)35-23-22-34(36-14-5-6-15-37(35)36)30-19-16-29(17-20-30)32-21-18-28-11-3-4-12-31(28)26-32/h1,3-4,6-7,11-12,15,21,24-25,28-31,33-38H,2,5,8-10,13-14,16-20,22-23,26H2/b7-1-,38-24+
InChIKeyIEGNYGWVTFUNRS-GLSPCYEASA-N
XLogP10.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 510.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-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

(E)-2-[4-[4-[4-[(1S)-4-(1,2,3,5,6,7,8,8a-octahydronaphthalen-2-yl)cyclohex-3-en-1-yl]cyclohexa-1,3-dien-1-yl]-1,2,3,4,4a,8a-hexahydronaphthalen-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]but-1-en-1-amine
CID 67951696
(E)-5-[4-[4-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohexa-2,4-dien-1-yl]pent-4-en-1-imine
CID 88529953
5-[4-[4-[4-(1,2,4a,4b,5,6,7,8,8a,9,10,10a-Dodecahydrophenanthren-9-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]cyclohex-2-en-1-yl]pentan-1-imine
CID 88529969
(4E)-3-[2-[4-[4-(1,2,4a,4b,5,6-hexahydrophenanthren-9-yl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexyl]ethyl]-4-ethylidenenonan-1-imine
CID 88530009
2-[4-[4-[(Z)-5-(2,3-dihydronaphthalen-2-yl)hex-3-en-2-yl]cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]ethanimine
CID 88530027
(2Z,4E)-5-[4-[4-[4-(2,3,7,8-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-2,3-dihydronaphthalen-1-yl]-2,3-dihydronaphthalen-1-yl]penta-2,4-dien-1-imine
CID 88530043
(2Z,4E)-5-[4-[4-[4-(1,5,6,7,8,8a-hexahydronaphthalen-2-yl)cyclohexen-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohex-3-en-1-yl]penta-2,4-dien-1-imine
CID 88530050
(E)-3-[2-[4-[4-[4-(2,3-dihydronaphthalen-1-yl)cyclohex-2-en-1-yl]-2,3,7,8-tetrahydronaphthalen-1-yl]cyclohexa-1,3-dien-1-yl]ethyl]-4-methylhept-4-en-1-imine
CID 88530073
(2Z)-2-[(E)-3-[4-(4-cyclohexa-1,3-dien-1-ylcyclohex-2-en-1-yl)-1,2,3,8a-tetrahydronaphthalen-1-yl]prop-2-enylidene]heptane-1,7-diimine
CID 88530085
(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
(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
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine?
The IUPAC name of (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine (CID 88530228) is (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine?
The canonical SMILES for (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine is [H]/N=C/C=C\CCC1=CC(C2CCC(C3CCC(C4=CCC5C=CC=CC5C4)CC3)C3CCC=CC23)CCC1.
What is the InChIKey of (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine?
The InChIKey is IEGNYGWVTFUNRS-GLSPCYEASA-N. The full InChI is InChI=1S/C37H51N/c38-24-7-1-2-9-27-10-8-13-33(25-27)35-23-22-34(36-14-5-6-15-37(35)36)30-19-16-29(17-20-30)32-21-18-28-11-3-4-12-31(28)26-32/h1,3-4,6-7,11-12,15,21,24-25,28-31,33-38H,2,5,8-10,13-14,16-20,22-23,26H2/b7-1-,38-24+.
What are the key properties of (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine?
(Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine has a molecular weight of 509.82 g/mol, XLogP of 10.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[3-[4-[4-(1,4,4a,8a-tetrahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]cyclohexen-1-yl]pent-2-en-1-imine is sourced from PubChem (CID 88530228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).