1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol

C21H43NO3 — CID 18980522

IUPAC1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)COCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C21H43NO3/c23-16-15-22-18-21(24)19-25-17-11-7-5-3-1-2-4-6-8-12-20-13-9-10-14-20/h20-24H,1-19H2
InChIKeyGOKDPYQWCHYSEE-UHFFFAOYSA-N
MW357.58 g/mol
LogP4.04
Rot. Bonds18

About 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol

1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol (PubChem CID 18980522) has the molecular formula C21H43NO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol
PubChem CID18980522
Molecular FormulaC21H43NO3
Molecular Weight357.58 g/mol
Exact Mass357.32
IUPAC Name1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)COCCCCCCCCCCCC1CCCC1
InChIInChI=1S/C21H43NO3/c23-16-15-22-18-21(24)19-25-17-11-7-5-3-1-2-4-6-8-12-20-13-9-10-14-20/h20-24H,1-19H2
InChIKeyGOKDPYQWCHYSEE-UHFFFAOYSA-N
XLogP4.04
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol (CID 18980522) is 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol is OCCNCC(O)COCCCCCCCCCCCC1CCCC1.
What is the InChIKey of 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol?
The InChIKey is GOKDPYQWCHYSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO3/c23-16-15-22-18-21(24)19-25-17-11-7-5-3-1-2-4-6-8-12-20-13-9-10-14-20/h20-24H,1-19H2.
What are the key properties of 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol?
1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol has a molecular weight of 357.58 g/mol, XLogP of 4.04, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-cyclopentylundecoxy)-3-(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 18980522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).