1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol

C32H50FNO — CID 135218652

IUPAC1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1CCC(C2CCC(c3ccc(C4CCC(CCCCC)CC4)c(F)c3)CC2)CC1
InChIInChI=1S/C32H50FNO/c1-3-5-6-7-23-8-10-27(11-9-23)30-21-18-28(22-31(30)33)26-14-12-24(13-15-26)25-16-19-29(20-17-25)34-32(35)4-2/h4,18,21-27,29,32,34-35H,2-3,5-17,19-20H2,1H3
InChIKeyKVQKJTVICTZFOR-UHFFFAOYSA-N
MW483.76 g/mol
LogP8.61
Rot. Bonds10

About 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol

1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol (PubChem CID 135218652) has the molecular formula C32H50FNO and a molecular weight of 483.76 g/mol. Its IUPAC name is 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
PubChem CID135218652
Molecular FormulaC32H50FNO
Molecular Weight483.76 g/mol
Exact Mass483.39
IUPAC Name1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol
SMILESC=CC(O)NC1CCC(C2CCC(c3ccc(C4CCC(CCCCC)CC4)c(F)c3)CC2)CC1
InChIInChI=1S/C32H50FNO/c1-3-5-6-7-23-8-10-27(11-9-23)30-21-18-28(22-31(30)33)26-14-12-24(13-15-26)25-16-19-29(20-17-25)34-32(35)4-2/h4,18,21-27,29,32,34-35H,2-3,5-17,19-20H2,1H3
InChIKeyKVQKJTVICTZFOR-UHFFFAOYSA-N
XLogP8.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.76
LogP ≤ 58.61
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-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-[2-ethyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]amino]prop-2-en-1-ol
CID 135218760
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
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-4-(4-methoxycyclohexyl)-1-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 139457155
2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]-1-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]benzene
CID 66824344
2-fluoro-N-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]aniline
CID 145234992
2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
N-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-N-methylprop-2-enamide
CID 134244380
1-[[4-[4-[3-ethyl-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]methyl-methylamino]prop-2-en-1-ol
CID 166645752
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol?
The IUPAC name of 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol (CID 135218652) is 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol.
What is the SMILES notation for 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol?
The canonical SMILES for 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol is C=CC(O)NC1CCC(C2CCC(c3ccc(C4CCC(CCCCC)CC4)c(F)c3)CC2)CC1.
What is the InChIKey of 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol?
The InChIKey is KVQKJTVICTZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50FNO/c1-3-5-6-7-23-8-10-27(11-9-23)30-21-18-28(22-31(30)33)26-14-12-24(13-15-26)25-16-19-29(20-17-25)34-32(35)4-2/h4,18,21-27,29,32,34-35H,2-3,5-17,19-20H2,1H3.
What are the key properties of 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol?
1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol has a molecular weight of 483.76 g/mol, XLogP of 8.61, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[3-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]amino]prop-2-en-1-ol is sourced from PubChem (CID 135218652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).