1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol

C34H55NO — CID 135218760

IUPAC1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1CCC(c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2CC)CC1
InChIInChI=1S/C34H55NO/c1-4-7-8-9-25-10-12-27(13-11-25)28-14-16-29(17-15-28)31-20-23-33(26(5-2)24-31)30-18-21-32(22-19-30)35-34(36)6-3/h6,20,23-25,27-30,32,34-36H,3-5,7-19,21-22H2,1-2H3
InChIKeyJGXQQUPLQBIWDT-UHFFFAOYSA-N
MW493.82 g/mol
LogP9.03
Rot. Bonds11

About 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol

1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol (PubChem CID 135218760) has the molecular formula C34H55NO and a molecular weight of 493.82 g/mol. Its IUPAC name is 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol
PubChem CID135218760
Molecular FormulaC34H55NO
Molecular Weight493.82 g/mol
Exact Mass493.43
IUPAC Name1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1CCC(c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2CC)CC1
InChIInChI=1S/C34H55NO/c1-4-7-8-9-25-10-12-27(13-11-25)28-14-16-29(17-15-28)31-20-23-33(26(5-2)24-31)30-18-21-32(22-19-30)35-34(36)6-3/h6,20,23-25,27-30,32,34-36H,3-5,7-19,21-22H2,1-2H3
InChIKeyJGXQQUPLQBIWDT-UHFFFAOYSA-N
XLogP9.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.82
LogP ≤ 59.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol with MolForge

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Related Compounds

1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
CID 135218652
1-[[4-[4-[3-ethyl-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]methyl-methylamino]prop-2-en-1-ol
CID 166645752
N-[4-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245752
N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
CID 135214922
4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 145235108
1-[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]anilino]prop-2-en-1-ol
CID 135218667
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
N-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-N-methylprop-2-enamide
CID 134244380
[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl] prop-2-enoate
CID 142707546
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
N-[4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol?
The IUPAC name of 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol (CID 135218760) is 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol.
What is the SMILES notation for 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol?
The canonical SMILES for 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol is C=CC(O)NC1CCC(c2ccc(C3CCC(C4CCC(CCCCC)CC4)CC3)cc2CC)CC1.
What is the InChIKey of 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol?
The InChIKey is JGXQQUPLQBIWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H55NO/c1-4-7-8-9-25-10-12-27(13-11-25)28-14-16-29(17-15-28)31-20-23-33(26(5-2)24-31)30-18-21-32(22-19-30)35-34(36)6-3/h6,20,23-25,27-30,32,34-36H,3-5,7-19,21-22H2,1-2H3.
What are the key properties of 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol?
1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol has a molecular weight of 493.82 g/mol, XLogP of 9.03, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol is sourced from PubChem (CID 135218760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).