1-(1-hydroxyicosylamino)cyclopentan-1-ol

C25H51NO2 — CID 139619698

IUPAC1-(1-hydroxyicosylamino)cyclopentan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)NC1(O)CCCC1
InChIInChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)26-25(28)22-19-20-23-25/h24,26-28H,2-23H2,1H3
InChIKeyQUOZVEMGRWTVSI-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.20
Rot. Bonds20

About 1-(1-hydroxyicosylamino)cyclopentan-1-ol

1-(1-hydroxyicosylamino)cyclopentan-1-ol (PubChem CID 139619698) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is 1-(1-hydroxyicosylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxyicosylamino)cyclopentan-1-ol
PubChem CID139619698
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC Name1-(1-hydroxyicosylamino)cyclopentan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCC(O)NC1(O)CCCC1
InChIInChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)26-25(28)22-19-20-23-25/h24,26-28H,2-23H2,1H3
InChIKeyQUOZVEMGRWTVSI-UHFFFAOYSA-N
XLogP7.20
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 57.20
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-(1-hydroxydodecyl)cyclohexan-1-ol
CID 23056048
1-(1-hydroxytridecyl)cyclohexan-1-ol
CID 103451628
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(ethylamino)tetradecan-1-ol
CID 88518024
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
1-(propylamino)nonan-1-ol
CID 88518015
1-(propylamino)dodecan-1-ol
CID 88518023

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyicosylamino)cyclopentan-1-ol?
The IUPAC name of 1-(1-hydroxyicosylamino)cyclopentan-1-ol (CID 139619698) is 1-(1-hydroxyicosylamino)cyclopentan-1-ol.
What is the SMILES notation for 1-(1-hydroxyicosylamino)cyclopentan-1-ol?
The canonical SMILES for 1-(1-hydroxyicosylamino)cyclopentan-1-ol is CCCCCCCCCCCCCCCCCCCC(O)NC1(O)CCCC1.
What is the InChIKey of 1-(1-hydroxyicosylamino)cyclopentan-1-ol?
The InChIKey is QUOZVEMGRWTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(27)26-25(28)22-19-20-23-25/h24,26-28H,2-23H2,1H3.
What are the key properties of 1-(1-hydroxyicosylamino)cyclopentan-1-ol?
1-(1-hydroxyicosylamino)cyclopentan-1-ol has a molecular weight of 397.69 g/mol, XLogP of 7.20, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyicosylamino)cyclopentan-1-ol is sourced from PubChem (CID 139619698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).