4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole

C37H53N — CID 67951354

IUPAC4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole
SMILESCCCCC1CC(C2C=CC(C3=CCC(C4=C5C=CCCC5C(C5=CNCC5)CC4)CC3)CC2)CC=C1C
InChIInChI=1S/C37H53N/c1-3-4-7-31-24-32(11-10-26(31)2)29-14-12-27(13-15-29)28-16-18-30(19-17-28)34-20-21-35(33-22-23-38-25-33)37-9-6-5-8-36(34)37/h5,8,10,12,14,16,25,27,29-32,35,37-38H,3-4,6-7,9,11,13,15,17-24H2,1-2H3
InChIKeyCSNMHUVYACKPHV-UHFFFAOYSA-N
MW511.84 g/mol
LogP10.01
Rot. Bonds7

About 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole

4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole (PubChem CID 67951354) has the molecular formula C37H53N and a molecular weight of 511.84 g/mol. Its IUPAC name is 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole
PubChem CID67951354
Molecular FormulaC37H53N
Molecular Weight511.84 g/mol
Exact Mass511.42
IUPAC Name4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole
SMILESCCCCC1CC(C2C=CC(C3=CCC(C4=C5C=CCCC5C(C5=CNCC5)CC4)CC3)CC2)CC=C1C
InChIInChI=1S/C37H53N/c1-3-4-7-31-24-32(11-10-26(31)2)29-14-12-27(13-15-29)28-16-18-30(19-17-28)34-20-21-35(33-22-23-38-25-33)37-9-6-5-8-36(34)37/h5,8,10,12,14,16,25,27,29-32,35,37-38H,3-4,6-7,9,11,13,15,17-24H2,1-2H3
InChIKeyCSNMHUVYACKPHV-UHFFFAOYSA-N
XLogP10.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.84
LogP ≤ 510.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole with MolForge

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Related Compounds

1-(3,5-Dimethylcyclohexa-1,3-dien-1-yl)-8-fluoro-12-methyl-1,2,6a,10a,11,12-hexahydronaphtho[2,1-f]isoquinoline
CID 156544756
15-Azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),3,5,9,11,13-hexaene
CID 57069115
N'-[3-[3-[4-(10b,10c-dihydropyren-4-yl)butylamino]propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 59548026
6-[4-[4-(2,3,4,4a-tetrahydronaphthalen-1-yl)cyclohexen-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-N-cyclohexyl-3-[4-(2,5-dihydro-1H-pyrrol-3-yl)-1,2,4a,8a-tetrahydronaphthalen-1-yl]cyclohexa-1,3-dien-1-amine
CID 67951351
3-[4-(4-Cyclohexa-1,5-dien-1-yl-2,3,4,4a-tetrahydronaphthalen-1-yl)cyclohexen-1-yl]-1,2-dihydropyridine
CID 67951358
2-[4-[4-(2-Methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine
CID 67951367
N-[2-[3-[4-[4-(1,4,4a,7,8,8a-hexahydronaphthalen-1-yl)cyclohex-2-en-1-yl]-2,3,4,4a-tetrahydronaphthalen-1-yl]butyl]-6-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylheptyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine
CID 67951369
N-[5-(4-cyclohex-2-en-1-yl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl)-2-(4-pyrrolidin-3-ylcyclohex-3-en-1-yl)hexyl]-1,2,4a,5,6,8a-hexahydronaphthalen-2-amine
CID 67951372
(6Z,10E)-4-(1,2,4a,5,6,8a-hexahydronaphthalen-2-yl)-2-[4-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-yl]-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12,14-tetraene
CID 67951373
(6Z,10E)-2-[4-(1,2,4a,7,8,8a-hexahydronaphthalen-2-yl)cyclohexa-1,5-dien-1-yl]-4-(1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-6-[4-(2,3-dihydro-1H-pyrrol-4-yl)cyclohex-3-en-1-yl]-9,10-dimethyl-4-azabicyclo[9.4.0]pentadeca-6,10,12-triene
CID 67951385
2-[4-[4-[4-[(1S)-2-(cyclohexen-1-yl)cyclohex-3-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,8a-tetrahydronaphthalen-1-yl]cyclohex-3-en-1-yl]butan-1-amine
CID 67951443
N-[2-(4-cyclohexa-1,5-dien-1-ylcyclohexa-1,5-dien-1-yl)-2-[(2E)-2-[1-[4-[3-[(Z)-oct-5-en-4-yl]cyclohex-3-en-1-yl]cyclohexyl]ethylidene]cyclohex-3-en-1-yl]ethyl]cyclohex-2-en-1-amine
CID 67951444

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole (CID 67951354) is 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole is CCCCC1CC(C2C=CC(C3=CCC(C4=C5C=CCCC5C(C5=CNCC5)CC4)CC3)CC2)CC=C1C.
What is the InChIKey of 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole?
The InChIKey is CSNMHUVYACKPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H53N/c1-3-4-7-31-24-32(11-10-26(31)2)29-14-12-27(13-15-29)28-16-18-30(19-17-28)34-20-21-35(33-22-23-38-25-33)37-9-6-5-8-36(34)37/h5,8,10,12,14,16,25,27,29-32,35,37-38H,3-4,6-7,9,11,13,15,17-24H2,1-2H3.
What are the key properties of 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole?
4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole has a molecular weight of 511.84 g/mol, XLogP of 10.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(5-butyl-4-methylcyclohex-3-en-1-yl)cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 67951354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).