2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol

C52H103NO — CID 170636143

IUPAC2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol
SMILESC=C(CCCCCCCCC)CCC(C)CCCC(C)CCCC(C)CCCC(O)CCCCC(C)CCCC(C)CNC(=C)CCCCCCCCC
InChIInChI=1S/C52H103NO/c1-10-12-14-16-18-20-22-30-48(6)42-43-49(7)36-27-34-46(4)32-26-33-47(5)37-29-41-52(54)40-25-24-31-45(3)35-28-38-50(8)44-53-51(9)39-23-21-19-17-15-13-11-2/h45-47,49-50,52-54H,6,9-44H2,1-5,7-8H3
InChIKeyXJTCAGPEMCFABW-UHFFFAOYSA-N
MW758.40 g/mol
LogP17.49
Rot. Bonds43

About 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol

2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol (PubChem CID 170636143) has the molecular formula C52H103NO and a molecular weight of 758.40 g/mol. Its IUPAC name is 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol.

Molecular Properties

Compound Name2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol
PubChem CID170636143
Molecular FormulaC52H103NO
Molecular Weight758.40 g/mol
Exact Mass757.80
IUPAC Name2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol
SMILESC=C(CCCCCCCCC)CCC(C)CCCC(C)CCCC(C)CCCC(O)CCCCC(C)CCCC(C)CNC(=C)CCCCCCCCC
InChIInChI=1S/C52H103NO/c1-10-12-14-16-18-20-22-30-48(6)42-43-49(7)36-27-34-46(4)32-26-33-47(5)37-29-41-52(54)40-25-24-31-45(3)35-28-38-50(8)44-53-51(9)39-23-21-19-17-15-13-11-2/h45-47,49-50,52-54H,6,9-44H2,1-5,7-8H3
InChIKeyXJTCAGPEMCFABW-UHFFFAOYSA-N
XLogP17.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds43
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.40
LogP ≤ 517.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol?
The IUPAC name of 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol (CID 170636143) is 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol.
What is the SMILES notation for 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol?
The canonical SMILES for 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol is C=C(CCCCCCCCC)CCC(C)CCCC(C)CCCC(C)CCCC(O)CCCCC(C)CCCC(C)CNC(=C)CCCCCCCCC.
What is the InChIKey of 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol?
The InChIKey is XJTCAGPEMCFABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H103NO/c1-10-12-14-16-18-20-22-30-48(6)42-43-49(7)36-27-34-46(4)32-26-33-47(5)37-29-41-52(54)40-25-24-31-45(3)35-28-38-50(8)44-53-51(9)39-23-21-19-17-15-13-11-2/h45-47,49-50,52-54H,6,9-44H2,1-5,7-8H3.
What are the key properties of 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol?
2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol has a molecular weight of 758.40 g/mol, XLogP of 17.49, 43 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,15,19,23-pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol is sourced from PubChem (CID 170636143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).