6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol

C28H59NO2 — CID 154641692

IUPAC6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
SMILESCCCCCCCCCCCCCCCCN(CCCCCCO)CCCCCCO
InChIInChI=1S/C28H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29(25-20-15-17-22-27-30)26-21-16-18-23-28-31/h30-31H,2-28H2,1H3
InChIKeyDVHIJVOVWPJKAA-UHFFFAOYSA-N
MW441.79 g/mol
LogP7.88
Rot. Bonds27

About 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol

6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol (PubChem CID 154641692) has the molecular formula C28H59NO2 and a molecular weight of 441.79 g/mol. Its IUPAC name is 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
PubChem CID154641692
Molecular FormulaC28H59NO2
Molecular Weight441.79 g/mol
Exact Mass441.45
IUPAC Name6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
SMILESCCCCCCCCCCCCCCCCN(CCCCCCO)CCCCCCO
InChIInChI=1S/C28H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29(25-20-15-17-22-27-30)26-21-16-18-23-28-31/h30-31H,2-28H2,1H3
InChIKeyDVHIJVOVWPJKAA-UHFFFAOYSA-N
XLogP7.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds27
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(dibutylamino)hexan-1-ol
CID 22218557
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
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
3-[decyl(propyl)amino]propan-1-ol
CID 13122229

Frequently Asked Questions

What is the IUPAC name of 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol?
The IUPAC name of 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol (CID 154641692) is 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol?
The canonical SMILES for 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol is CCCCCCCCCCCCCCCCN(CCCCCCO)CCCCCCO.
What is the InChIKey of 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol?
The InChIKey is DVHIJVOVWPJKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24-29(25-20-15-17-22-27-30)26-21-16-18-23-28-31/h30-31H,2-28H2,1H3.
What are the key properties of 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol?
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol has a molecular weight of 441.79 g/mol, XLogP of 7.88, 27 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol is sourced from PubChem (CID 154641692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).