2-(2-docosylphenyl)tetracosan-2-amine

C52H99N — CID 89487184

IUPAC2-(2-docosylphenyl)tetracosan-2-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCc1ccccc1C(C)(N)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H99N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-46-50-47-43-44-48-51(50)52(3,53)49-45-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h43-44,47-48H,4-42,45-46,49,53H2,1-3H3
InChIKeyRUUZGOJVBTZAHB-UHFFFAOYSA-N
MW738.37 g/mol
LogP18.44
Rot. Bonds43

About 2-(2-docosylphenyl)tetracosan-2-amine

2-(2-docosylphenyl)tetracosan-2-amine (PubChem CID 89487184) has the molecular formula C52H99N and a molecular weight of 738.37 g/mol. Its IUPAC name is 2-(2-docosylphenyl)tetracosan-2-amine.

Molecular Properties

Compound Name2-(2-docosylphenyl)tetracosan-2-amine
PubChem CID89487184
Molecular FormulaC52H99N
Molecular Weight738.37 g/mol
Exact Mass737.78
IUPAC Name2-(2-docosylphenyl)tetracosan-2-amine
SMILESCCCCCCCCCCCCCCCCCCCCCCc1ccccc1C(C)(N)CCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C52H99N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-46-50-47-43-44-48-51(50)52(3,53)49-45-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h43-44,47-48H,4-42,45-46,49,53H2,1-3H3
InChIKeyRUUZGOJVBTZAHB-UHFFFAOYSA-N
XLogP18.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds43
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.37
LogP ≤ 518.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173357060
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Frequently Asked Questions

What is the IUPAC name of 2-(2-docosylphenyl)tetracosan-2-amine?
The IUPAC name of 2-(2-docosylphenyl)tetracosan-2-amine (CID 89487184) is 2-(2-docosylphenyl)tetracosan-2-amine.
What is the SMILES notation for 2-(2-docosylphenyl)tetracosan-2-amine?
The canonical SMILES for 2-(2-docosylphenyl)tetracosan-2-amine is CCCCCCCCCCCCCCCCCCCCCCc1ccccc1C(C)(N)CCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-(2-docosylphenyl)tetracosan-2-amine?
The InChIKey is RUUZGOJVBTZAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H99N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-46-50-47-43-44-48-51(50)52(3,53)49-45-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h43-44,47-48H,4-42,45-46,49,53H2,1-3H3.
What are the key properties of 2-(2-docosylphenyl)tetracosan-2-amine?
2-(2-docosylphenyl)tetracosan-2-amine has a molecular weight of 738.37 g/mol, XLogP of 18.44, 43 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-docosylphenyl)tetracosan-2-amine is sourced from PubChem (CID 89487184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).