N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline

C29H47N — CID 158118284

IUPACN-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
SMILESCCCCCC1CCC(C2CCC(C3CCC(Nc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C29H47N/c1-2-3-5-8-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-21-29(22-20-27)30-28-9-6-4-7-10-28/h4,6-7,9-10,23-27,29-30H,2-3,5,8,11-22H2,1H3
InChIKeyFRHFYUNKNIAZPS-UHFFFAOYSA-N
MW409.70 g/mol
LogP8.85
Rot. Bonds8

About N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline

N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline (PubChem CID 158118284) has the molecular formula C29H47N and a molecular weight of 409.70 g/mol. Its IUPAC name is N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline.

Molecular Properties

Compound NameN-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
PubChem CID158118284
Molecular FormulaC29H47N
Molecular Weight409.70 g/mol
Exact Mass409.37
IUPAC NameN-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
SMILESCCCCCC1CCC(C2CCC(C3CCC(Nc4ccccc4)CC3)CC2)CC1
InChIInChI=1S/C29H47N/c1-2-3-5-8-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-21-29(22-20-27)30-28-9-6-4-7-10-28/h4,6-7,9-10,23-27,29-30H,2-3,5,8,11-22H2,1H3
InChIKeyFRHFYUNKNIAZPS-UHFFFAOYSA-N
XLogP8.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
4-pentyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
CID 57169431
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
CID 139911130
N-cyclopropylaniline;hydrochloride
CID 44717153
1-dodecyl-4-pentadecylcyclohexane
CID 123560684

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline?
The IUPAC name of N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline (CID 158118284) is N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline.
What is the SMILES notation for N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline?
The canonical SMILES for N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline is CCCCCC1CCC(C2CCC(C3CCC(Nc4ccccc4)CC3)CC2)CC1.
What is the InChIKey of N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline?
The InChIKey is FRHFYUNKNIAZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47N/c1-2-3-5-8-23-11-13-24(14-12-23)25-15-17-26(18-16-25)27-19-21-29(22-20-27)30-28-9-6-4-7-10-28/h4,6-7,9-10,23-27,29-30H,2-3,5,8,11-22H2,1H3.
What are the key properties of N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline?
N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline has a molecular weight of 409.70 g/mol, XLogP of 8.85, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline is sourced from PubChem (CID 158118284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).