N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine

C25H26N2 — CID 13215887

IUPACN-(cyclohexylideneamino)-1,1,1-triphenylmethanamine
SMILESc1ccc(C(NN=C2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)27-26-24-19-11-4-12-20-24/h1-3,5-10,13-18,27H,4,11-12,19-20H2
InChIKeySPXLLVVETOFTOP-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.89
Rot. Bonds5

About N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine

N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine (PubChem CID 13215887) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-1,1,1-triphenylmethanamine
PubChem CID13215887
Molecular FormulaC25H26N2
Molecular Weight354.50 g/mol
Exact Mass354.21
IUPAC NameN-(cyclohexylideneamino)-1,1,1-triphenylmethanamine
SMILESc1ccc(C(NN=C2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)27-26-24-19-11-4-12-20-24/h1-3,5-10,13-18,27H,4,11-12,19-20H2
InChIKeySPXLLVVETOFTOP-UHFFFAOYSA-N
XLogP5.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine?
The IUPAC name of N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine (CID 13215887) is N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine.
What is the SMILES notation for N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine?
The canonical SMILES for N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine is c1ccc(C(NN=C2CCCCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine?
The InChIKey is SPXLLVVETOFTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)27-26-24-19-11-4-12-20-24/h1-3,5-10,13-18,27H,4,11-12,19-20H2.
What are the key properties of N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine?
N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine has a molecular weight of 354.50 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-1,1,1-triphenylmethanamine is sourced from PubChem (CID 13215887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).