1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol

C27H55NO2 — CID 90980738

IUPAC1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol
SMILESCCCCCCCCC=CCCCCCCCCCCCCC(O)CN(C)CCO
InChIInChI=1S/C27H55NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)26-28(2)24-25-29/h10-11,27,29-30H,3-9,12-26H2,1-2H3
InChIKeyRZEIGSMXJGPUEY-UHFFFAOYSA-N
MW425.74 g/mol
LogP7.26
Rot. Bonds24

About 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol

1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol (PubChem CID 90980738) has the molecular formula C27H55NO2 and a molecular weight of 425.74 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol
PubChem CID90980738
Molecular FormulaC27H55NO2
Molecular Weight425.74 g/mol
Exact Mass425.42
IUPAC Name1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol
SMILESCCCCCCCCC=CCCCCCCCCCCCCC(O)CN(C)CCO
InChIInChI=1S/C27H55NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)26-28(2)24-25-29/h10-11,27,29-30H,3-9,12-26H2,1-2H3
InChIKeyRZEIGSMXJGPUEY-UHFFFAOYSA-N
XLogP7.26
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.74
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol (CID 90980738) is 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol is CCCCCCCCC=CCCCCCCCCCCCCC(O)CN(C)CCO.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol?
The InChIKey is RZEIGSMXJGPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)26-28(2)24-25-29/h10-11,27,29-30H,3-9,12-26H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol?
1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol has a molecular weight of 425.74 g/mol, XLogP of 7.26, 24 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)amino]tetracos-15-en-2-ol is sourced from PubChem (CID 90980738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).