N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline

C25H34N2 — CID 67403837

IUPACN-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline
SMILESc1ccc(NC2(CC3(Nc4ccccc4)CCCCC3)CCCCC2)cc1
InChIInChI=1S/C25H34N2/c1-5-13-22(14-6-1)26-24(17-9-3-10-18-24)21-25(19-11-4-12-20-25)27-23-15-7-2-8-16-23/h1-2,5-8,13-16,26-27H,3-4,9-12,17-21H2
InChIKeyHERVCSGIYPIMMB-UHFFFAOYSA-N
MW362.56 g/mol
LogP7.01
Rot. Bonds6

About N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline

N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline (PubChem CID 67403837) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline.

Molecular Properties

Compound NameN-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline
PubChem CID67403837
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC NameN-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline
SMILESc1ccc(NC2(CC3(Nc4ccccc4)CCCCC3)CCCCC2)cc1
InChIInChI=1S/C25H34N2/c1-5-13-22(14-6-1)26-24(17-9-3-10-18-24)21-25(19-11-4-12-20-25)27-23-15-7-2-8-16-23/h1-2,5-8,13-16,26-27H,3-4,9-12,17-21H2
InChIKeyHERVCSGIYPIMMB-UHFFFAOYSA-N
XLogP7.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[(1-anilinocyclohexyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline?
The IUPAC name of N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline (CID 67403837) is N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline.
What is the SMILES notation for N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline?
The canonical SMILES for N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline is c1ccc(NC2(CC3(Nc4ccccc4)CCCCC3)CCCCC2)cc1.
What is the InChIKey of N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline?
The InChIKey is HERVCSGIYPIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-5-13-22(14-6-1)26-24(17-9-3-10-18-24)21-25(19-11-4-12-20-25)27-23-15-7-2-8-16-23/h1-2,5-8,13-16,26-27H,3-4,9-12,17-21H2.
What are the key properties of N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline?
N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline has a molecular weight of 362.56 g/mol, XLogP of 7.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-anilinocyclohexyl)methyl]cyclohexyl]aniline is sourced from PubChem (CID 67403837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).