N-tritylcyclohexanamine

C25H27N — CID 618343

IUPACN-tritylcyclohexanamine
SMILESc1ccc(C(NC2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24/h1-3,5-10,13-18,24,26H,4,11-12,19-20H2
InChIKeyNLPDSXSMWCTFFQ-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.90
Rot. Bonds5

About N-tritylcyclohexanamine

N-tritylcyclohexanamine (PubChem CID 618343) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is N-tritylcyclohexanamine.

Molecular Properties

Compound NameN-tritylcyclohexanamine
PubChem CID618343
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC NameN-tritylcyclohexanamine
SMILESc1ccc(C(NC2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H27N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24/h1-3,5-10,13-18,24,26H,4,11-12,19-20H2
InChIKeyNLPDSXSMWCTFFQ-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tritylcyclohexanamine?
The IUPAC name of N-tritylcyclohexanamine (CID 618343) is N-tritylcyclohexanamine.
What is the SMILES notation for N-tritylcyclohexanamine?
The canonical SMILES for N-tritylcyclohexanamine is c1ccc(C(NC2CCCCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-tritylcyclohexanamine?
The InChIKey is NLPDSXSMWCTFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24/h1-3,5-10,13-18,24,26H,4,11-12,19-20H2.
What are the key properties of N-tritylcyclohexanamine?
N-tritylcyclohexanamine has a molecular weight of 341.50 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tritylcyclohexanamine is sourced from PubChem (CID 618343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).