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

C20H31N — CID 70181620

IUPAC4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
SMILESCCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C20H31N/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h11-18H,2-10,21H2,1H3
InChIKeyIJEKKIICKAQSER-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.76
Rot. Bonds3

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

4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline (PubChem CID 70181620) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
PubChem CID70181620
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline
SMILESCCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C20H31N/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h11-18H,2-10,21H2,1H3
InChIKeyIJEKKIICKAQSER-UHFFFAOYSA-N
XLogP5.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-hexylcyclohexyl)cyclohexyl]aniline
CID 70180506
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-(3,4-difluorophenyl)-4-(4-ethylcyclohexyl)cycloheptane
CID 130256431
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-methylbenzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-methylbenzene;methane;1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 160680603
4-(4-tert-butylcyclohexyl)aniline
CID 141087341
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline?
The IUPAC name of 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline (CID 70181620) is 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline.
What is the SMILES notation for 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline?
The canonical SMILES for 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline is CCC1CCC(C2CCC(c3ccc(N)cc3)CC2)CC1.
What is the InChIKey of 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline?
The InChIKey is IJEKKIICKAQSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19/h11-18H,2-10,21H2,1H3.
What are the key properties of 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline?
4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline has a molecular weight of 285.47 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylcyclohexyl)cyclohexyl]aniline is sourced from PubChem (CID 70181620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).