3-tritylazepan-1-amine

C25H28N2 — CID 174750073

IUPAC3-tritylazepan-1-amine
SMILESNN1CCCCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H28N2/c26-27-19-11-10-18-24(20-27)25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20,26H2
InChIKeyFYCPAIZRCJQYSY-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.00
Rot. Bonds4

About 3-tritylazepan-1-amine

3-tritylazepan-1-amine (PubChem CID 174750073) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-tritylazepan-1-amine.

Molecular Properties

Compound Name3-tritylazepan-1-amine
PubChem CID174750073
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name3-tritylazepan-1-amine
SMILESNN1CCCCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C25H28N2/c26-27-19-11-10-18-24(20-27)25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20,26H2
InChIKeyFYCPAIZRCJQYSY-UHFFFAOYSA-N
XLogP5.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tritylazepan-1-amine?
The IUPAC name of 3-tritylazepan-1-amine (CID 174750073) is 3-tritylazepan-1-amine.
What is the SMILES notation for 3-tritylazepan-1-amine?
The canonical SMILES for 3-tritylazepan-1-amine is NN1CCCCC(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-tritylazepan-1-amine?
The InChIKey is FYCPAIZRCJQYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c26-27-19-11-10-18-24(20-27)25(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,12-17,24H,10-11,18-20,26H2.
What are the key properties of 3-tritylazepan-1-amine?
3-tritylazepan-1-amine has a molecular weight of 356.51 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tritylazepan-1-amine is sourced from PubChem (CID 174750073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).