8-(8-hydroxyoctylamino)octan-1-ol

C16H35NO2 — CID 18003959

IUPAC8-(8-hydroxyoctylamino)octan-1-ol
SMILESOCCCCCCCCNCCCCCCCCO
InChIInChI=1S/C16H35NO2/c18-15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16-19/h17-19H,1-16H2
InChIKeyJJHALACYYLLQTC-UHFFFAOYSA-N
MW273.46 g/mol
LogP3.24
Rot. Bonds16

About 8-(8-hydroxyoctylamino)octan-1-ol

8-(8-hydroxyoctylamino)octan-1-ol (PubChem CID 18003959) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 8-(8-hydroxyoctylamino)octan-1-ol.

Molecular Properties

Compound Name8-(8-hydroxyoctylamino)octan-1-ol
PubChem CID18003959
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name8-(8-hydroxyoctylamino)octan-1-ol
SMILESOCCCCCCCCNCCCCCCCCO
InChIInChI=1S/C16H35NO2/c18-15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16-19/h17-19H,1-16H2
InChIKeyJJHALACYYLLQTC-UHFFFAOYSA-N
XLogP3.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 8-(8-hydroxyoctylamino)octan-1-ol?
The IUPAC name of 8-(8-hydroxyoctylamino)octan-1-ol (CID 18003959) is 8-(8-hydroxyoctylamino)octan-1-ol.
What is the SMILES notation for 8-(8-hydroxyoctylamino)octan-1-ol?
The canonical SMILES for 8-(8-hydroxyoctylamino)octan-1-ol is OCCCCCCCCNCCCCCCCCO.
What is the InChIKey of 8-(8-hydroxyoctylamino)octan-1-ol?
The InChIKey is JJHALACYYLLQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c18-15-11-7-3-1-5-9-13-17-14-10-6-2-4-8-12-16-19/h17-19H,1-16H2.
What are the key properties of 8-(8-hydroxyoctylamino)octan-1-ol?
8-(8-hydroxyoctylamino)octan-1-ol has a molecular weight of 273.46 g/mol, XLogP of 3.24, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-hydroxyoctylamino)octan-1-ol is sourced from PubChem (CID 18003959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).