8-[butyl(8-hydroxyoctyl)amino]octan-1-ol

C20H43NO2 — CID 139645633

IUPAC8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
SMILESCCCCN(CCCCCCCCO)CCCCCCCCO
InChIInChI=1S/C20H43NO2/c1-2-3-16-21(17-12-8-4-6-10-14-19-22)18-13-9-5-7-11-15-20-23/h22-23H,2-20H2,1H3
InChIKeyXBYDEWSIRRHQFC-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.75
Rot. Bonds19

About 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol

8-[butyl(8-hydroxyoctyl)amino]octan-1-ol (PubChem CID 139645633) has the molecular formula C20H43NO2 and a molecular weight of 329.57 g/mol. Its IUPAC name is 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol.

Molecular Properties

Compound Name8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
PubChem CID139645633
Molecular FormulaC20H43NO2
Molecular Weight329.57 g/mol
Exact Mass329.33
IUPAC Name8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
SMILESCCCCN(CCCCCCCCO)CCCCCCCCO
InChIInChI=1S/C20H43NO2/c1-2-3-16-21(17-12-8-4-6-10-14-19-22)18-13-9-5-7-11-15-20-23/h22-23H,2-20H2,1H3
InChIKeyXBYDEWSIRRHQFC-UHFFFAOYSA-N
XLogP4.75
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(dibutylamino)hexan-1-ol
CID 22218557
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297

Frequently Asked Questions

What is the IUPAC name of 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol?
The IUPAC name of 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol (CID 139645633) is 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol.
What is the SMILES notation for 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol?
The canonical SMILES for 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol is CCCCN(CCCCCCCCO)CCCCCCCCO.
What is the InChIKey of 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol?
The InChIKey is XBYDEWSIRRHQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO2/c1-2-3-16-21(17-12-8-4-6-10-14-19-22)18-13-9-5-7-11-15-20-23/h22-23H,2-20H2,1H3.
What are the key properties of 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol?
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol has a molecular weight of 329.57 g/mol, XLogP of 4.75, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[butyl(8-hydroxyoctyl)amino]octan-1-ol is sourced from PubChem (CID 139645633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).