1-(4-hydroxybutylamino)tetracosan-1-ol

C28H59NO2 — CID 88518032

IUPAC1-(4-hydroxybutylamino)tetracosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)NCCCCO
InChIInChI=1S/C28H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)29-26-23-24-27-30/h28-31H,2-27H2,1H3
InChIKeyRHXJGCOMLHQYRD-UHFFFAOYSA-N
MW441.79 g/mol
LogP8.27
Rot. Bonds27

About 1-(4-hydroxybutylamino)tetracosan-1-ol

1-(4-hydroxybutylamino)tetracosan-1-ol (PubChem CID 88518032) has the molecular formula C28H59NO2 and a molecular weight of 441.79 g/mol. Its IUPAC name is 1-(4-hydroxybutylamino)tetracosan-1-ol.

Molecular Properties

Compound Name1-(4-hydroxybutylamino)tetracosan-1-ol
PubChem CID88518032
Molecular FormulaC28H59NO2
Molecular Weight441.79 g/mol
Exact Mass441.45
IUPAC Name1-(4-hydroxybutylamino)tetracosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O)NCCCCO
InChIInChI=1S/C28H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)29-26-23-24-27-30/h28-31H,2-27H2,1H3
InChIKeyRHXJGCOMLHQYRD-UHFFFAOYSA-N
XLogP8.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 58.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
1-(propylamino)nonan-1-ol
CID 88518015
1-(propylamino)dodecan-1-ol
CID 88518023
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutylamino)tetracosan-1-ol?
The IUPAC name of 1-(4-hydroxybutylamino)tetracosan-1-ol (CID 88518032) is 1-(4-hydroxybutylamino)tetracosan-1-ol.
What is the SMILES notation for 1-(4-hydroxybutylamino)tetracosan-1-ol?
The canonical SMILES for 1-(4-hydroxybutylamino)tetracosan-1-ol is CCCCCCCCCCCCCCCCCCCCCCCC(O)NCCCCO.
What is the InChIKey of 1-(4-hydroxybutylamino)tetracosan-1-ol?
The InChIKey is RHXJGCOMLHQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-28(31)29-26-23-24-27-30/h28-31H,2-27H2,1H3.
What are the key properties of 1-(4-hydroxybutylamino)tetracosan-1-ol?
1-(4-hydroxybutylamino)tetracosan-1-ol has a molecular weight of 441.79 g/mol, XLogP of 8.27, 27 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutylamino)tetracosan-1-ol is sourced from PubChem (CID 88518032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).