N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline

C26H40N2Si2 — CID 123743230

IUPACN-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline
SMILESc1ccc(N([SiH2]CC[SiH2]N(c2ccccc2)C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H40N2Si2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3,5-6,9-10,13-14,17-18,24,26H,2,4,7-8,11-12,15-16,19-22,29-30H2
InChIKeyPXFYQKOFWINBNV-UHFFFAOYSA-N
MW436.79 g/mol
LogP5.67
Rot. Bonds9

About N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline

N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline (PubChem CID 123743230) has the molecular formula C26H40N2Si2 and a molecular weight of 436.79 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline
PubChem CID123743230
Molecular FormulaC26H40N2Si2
Molecular Weight436.79 g/mol
Exact Mass436.27
IUPAC NameN-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline
SMILESc1ccc(N([SiH2]CC[SiH2]N(c2ccccc2)C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H40N2Si2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3,5-6,9-10,13-14,17-18,24,26H,2,4,7-8,11-12,15-16,19-22,29-30H2
InChIKeyPXFYQKOFWINBNV-UHFFFAOYSA-N
XLogP5.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.79
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline?
The IUPAC name of N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline (CID 123743230) is N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline.
What is the SMILES notation for N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline?
The canonical SMILES for N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline is c1ccc(N([SiH2]CC[SiH2]N(c2ccccc2)C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline?
The InChIKey is PXFYQKOFWINBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2Si2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)29-21-22-30-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1,3,5-6,9-10,13-14,17-18,24,26H,2,4,7-8,11-12,15-16,19-22,29-30H2.
What are the key properties of N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline?
N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline has a molecular weight of 436.79 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-(N-cyclohexylanilino)silylethylsilyl]aniline is sourced from PubChem (CID 123743230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).