(Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine

C43H60N2 — CID 67951559

IUPAC(Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine
SMILESCC1CC=CC2=C(C3=CC(C4CCCCC4)CC(C4=CCCCC4)=C3)CCC(C3CC=C(CCC/C=C(\N)C4=NCC4)CC3)C21
InChIInChI=1S/C43H60N2/c1-30-11-10-17-40-38(37-28-35(32-13-4-2-5-14-32)27-36(29-37)33-15-6-3-7-16-33)23-24-39(43(30)40)34-21-19-31(20-22-34)12-8-9-18-41(44)42-25-26-45-42/h10,13,17-19,28-30,33-34,36,39,43H,2-9,11-12,14-16,20-27,44H2,1H3/b41-18-
InChIKeyPYKCXWXJELEZHS-BGMILDDJSA-N
MW604.97 g/mol
LogP11.44
Rot. Bonds9

About (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine

(Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine (PubChem CID 67951559) has the molecular formula C43H60N2 and a molecular weight of 604.97 g/mol. Its IUPAC name is (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine
PubChem CID67951559
Molecular FormulaC43H60N2
Molecular Weight604.97 g/mol
Exact Mass604.48
IUPAC Name(Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine
SMILESCC1CC=CC2=C(C3=CC(C4CCCCC4)CC(C4=CCCCC4)=C3)CCC(C3CC=C(CCC/C=C(\N)C4=NCC4)CC3)C21
InChIInChI=1S/C43H60N2/c1-30-11-10-17-40-38(37-28-35(32-13-4-2-5-14-32)27-36(29-37)33-15-6-3-7-16-33)23-24-39(43(30)40)34-21-19-31(20-22-34)12-8-9-18-41(44)42-25-26-45-42/h10,13,17-19,28-30,33-34,36,39,43H,2-9,11-12,14-16,20-27,44H2,1H3/b41-18-
InChIKeyPYKCXWXJELEZHS-BGMILDDJSA-N
XLogP11.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.97
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine?
The IUPAC name of (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine (CID 67951559) is (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine.
What is the SMILES notation for (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine?
The canonical SMILES for (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine is CC1CC=CC2=C(C3=CC(C4CCCCC4)CC(C4=CCCCC4)=C3)CCC(C3CC=C(CCC/C=C(\N)C4=NCC4)CC3)C21.
What is the InChIKey of (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine?
The InChIKey is PYKCXWXJELEZHS-BGMILDDJSA-N. The full InChI is InChI=1S/C43H60N2/c1-30-11-10-17-40-38(37-28-35(32-13-4-2-5-14-32)27-36(29-37)33-15-6-3-7-16-33)23-24-39(43(30)40)34-21-19-31(20-22-34)12-8-9-18-41(44)42-25-26-45-42/h10,13,17-19,28-30,33-34,36,39,43H,2-9,11-12,14-16,20-27,44H2,1H3/b41-18-.
What are the key properties of (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine?
(Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine has a molecular weight of 604.97 g/mol, XLogP of 11.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[4-[4-[5-(cyclohexen-1-yl)-3-cyclohexylcyclohexa-1,5-dien-1-yl]-8-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]cyclohexen-1-yl]-1-(2,3-dihydroazet-4-yl)pent-1-en-1-amine is sourced from PubChem (CID 67951559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).