19-(2-ethenylphenyl)heptatriacontan-19-amine

C45H83N — CID 67926366

IUPAC19-(2-ethenylphenyl)heptatriacontan-19-amine
SMILESC=Cc1ccccc1C(N)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H83N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41-45(46,44-40-36-35-39-43(44)6-3)42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,35-36,39-40H,3-5,7-34,37-38,41-42,46H2,1-2H3
InChIKeyOIIWSPRFUREXIW-UHFFFAOYSA-N
MW638.17 g/mol
LogP15.79
Rot. Bonds36

About 19-(2-ethenylphenyl)heptatriacontan-19-amine

19-(2-ethenylphenyl)heptatriacontan-19-amine (PubChem CID 67926366) has the molecular formula C45H83N and a molecular weight of 638.17 g/mol. Its IUPAC name is 19-(2-ethenylphenyl)heptatriacontan-19-amine.

Molecular Properties

Compound Name19-(2-ethenylphenyl)heptatriacontan-19-amine
PubChem CID67926366
Molecular FormulaC45H83N
Molecular Weight638.17 g/mol
Exact Mass637.65
IUPAC Name19-(2-ethenylphenyl)heptatriacontan-19-amine
SMILESC=Cc1ccccc1C(N)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C45H83N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41-45(46,44-40-36-35-39-43(44)6-3)42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,35-36,39-40H,3-5,7-34,37-38,41-42,46H2,1-2H3
InChIKeyOIIWSPRFUREXIW-UHFFFAOYSA-N
XLogP15.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.17
LogP ≤ 515.79
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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1-ethenyl-2-pentylbenzene
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decyl 2-ethenylbenzoate
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Frequently Asked Questions

What is the IUPAC name of 19-(2-ethenylphenyl)heptatriacontan-19-amine?
The IUPAC name of 19-(2-ethenylphenyl)heptatriacontan-19-amine (CID 67926366) is 19-(2-ethenylphenyl)heptatriacontan-19-amine.
What is the SMILES notation for 19-(2-ethenylphenyl)heptatriacontan-19-amine?
The canonical SMILES for 19-(2-ethenylphenyl)heptatriacontan-19-amine is C=Cc1ccccc1C(N)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of 19-(2-ethenylphenyl)heptatriacontan-19-amine?
The InChIKey is OIIWSPRFUREXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H83N/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-41-45(46,44-40-36-35-39-43(44)6-3)42-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h6,35-36,39-40H,3-5,7-34,37-38,41-42,46H2,1-2H3.
What are the key properties of 19-(2-ethenylphenyl)heptatriacontan-19-amine?
19-(2-ethenylphenyl)heptatriacontan-19-amine has a molecular weight of 638.17 g/mol, XLogP of 15.79, 36 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(2-ethenylphenyl)heptatriacontan-19-amine is sourced from PubChem (CID 67926366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).