4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline

C24H39N — CID 70180506

IUPAC4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
SMILESCCCCCCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C24H39N/c1-2-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25)18-16-23/h15-22H,2-14,25H2,1H3
InChIKeyJJTKKAJFJQDIRE-UHFFFAOYSA-N
MW341.58 g/mol
LogP7.32
Rot. Bonds7

About 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline

4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline (PubChem CID 70180506) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
PubChem CID70180506
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Name4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
SMILESCCCCCCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C24H39N/c1-2-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25)18-16-23/h15-22H,2-14,25H2,1H3
InChIKeyJJTKKAJFJQDIRE-UHFFFAOYSA-N
XLogP7.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
4-[1-[4-(4-heptylcyclohexyl)phenyl]butyl]aniline
CID 67687385
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
CID 70181620
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline?
The IUPAC name of 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline (CID 70180506) is 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline.
What is the SMILES notation for 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline?
The canonical SMILES for 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline is CCCCCCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline?
The InChIKey is JJTKKAJFJQDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N/c1-2-3-4-5-6-19-7-9-20(10-8-19)21-11-13-22(14-12-21)23-15-17-24(25)18-16-23/h15-22H,2-14,25H2,1H3.
What are the key properties of 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline?
4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline has a molecular weight of 341.58 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline is sourced from PubChem (CID 70180506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).