N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine

C71H112N2 — CID 88875524

IUPACN-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
SMILESCCCCCCC1=CC(C2C=CC(C3C=CC(NC4CC=C(C5CC=CCC5)CC4)CC3)C(CC)C2)C(CCCCCC)CC1C1C=CC(C(C)/C=C\C(CC)NC2=CCC(C3=CCCCC3)CC2)C(CC)C1
InChIInChI=1S/C71H112N2/c1-7-12-14-18-28-60-51-71(63-38-47-69(54(10-4)49-63)59-35-44-67(45-36-59)73-66-42-33-58(34-43-66)56-26-22-17-23-27-56)61(29-19-15-13-8-2)50-70(60)62-37-46-68(53(9-3)48-62)52(6)30-39-64(11-5)72-65-40-31-57(32-41-65)55-24-20-16-21-25-55/h17,22,24,30,33,35,37-40,44,46-47,51-54,56-57,59,61-64,66-73H,7-16,18-21,23,25-29,31-32,34,36,41-43,45,48-50H2,1-6H3/b39-30-
InChIKeyPSBKFBMNDWHYAT-RRCMXBARSA-N
MW993.69 g/mol
LogP20.05
Rot. Bonds25

About N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine

N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine (PubChem CID 88875524) has the molecular formula C71H112N2 and a molecular weight of 993.69 g/mol. Its IUPAC name is N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
PubChem CID88875524
Molecular FormulaC71H112N2
Molecular Weight993.69 g/mol
Exact Mass992.88
IUPAC NameN-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
SMILESCCCCCCC1=CC(C2C=CC(C3C=CC(NC4CC=C(C5CC=CCC5)CC4)CC3)C(CC)C2)C(CCCCCC)CC1C1C=CC(C(C)/C=C\C(CC)NC2=CCC(C3=CCCCC3)CC2)C(CC)C1
InChIInChI=1S/C71H112N2/c1-7-12-14-18-28-60-51-71(63-38-47-69(54(10-4)49-63)59-35-44-67(45-36-59)73-66-42-33-58(34-43-66)56-26-22-17-23-27-56)61(29-19-15-13-8-2)50-70(60)62-37-46-68(53(9-3)48-62)52(6)30-39-64(11-5)72-65-40-31-57(32-41-65)55-24-20-16-21-25-55/h17,22,24,30,33,35,37-40,44,46-47,51-54,56-57,59,61-64,66-73H,7-16,18-21,23,25-29,31-32,34,36,41-43,45,48-50H2,1-6H3/b39-30-
InChIKeyPSBKFBMNDWHYAT-RRCMXBARSA-N
XLogP20.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.69
LogP ≤ 520.05
H-Bond Donors ≤ 52
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 N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The IUPAC name of N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine (CID 88875524) is N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The canonical SMILES for N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine is CCCCCCC1=CC(C2C=CC(C3C=CC(NC4CC=C(C5CC=CCC5)CC4)CC3)C(CC)C2)C(CCCCCC)CC1C1C=CC(C(C)/C=C\C(CC)NC2=CCC(C3=CCCCC3)CC2)C(CC)C1.
What is the InChIKey of N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The InChIKey is PSBKFBMNDWHYAT-RRCMXBARSA-N. The full InChI is InChI=1S/C71H112N2/c1-7-12-14-18-28-60-51-71(63-38-47-69(54(10-4)49-63)59-35-44-67(45-36-59)73-66-42-33-58(34-43-66)56-26-22-17-23-27-56)61(29-19-15-13-8-2)50-70(60)62-37-46-68(53(9-3)48-62)52(6)30-39-64(11-5)72-65-40-31-57(32-41-65)55-24-20-16-21-25-55/h17,22,24,30,33,35,37-40,44,46-47,51-54,56-57,59,61-64,66-73H,7-16,18-21,23,25-29,31-32,34,36,41-43,45,48-50H2,1-6H3/b39-30-.
What are the key properties of N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine has a molecular weight of 993.69 g/mol, XLogP of 20.05, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine is sourced from PubChem (CID 88875524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).