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

C15H33NO2 — CID 87112073

IUPAC6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
SMILESCCCN(CCCCCCO)CCCCCCO
InChIInChI=1S/C15H33NO2/c1-2-11-16(12-7-3-5-9-14-17)13-8-4-6-10-15-18/h17-18H,2-15H2,1H3
InChIKeyKBPPBYADHXBZDG-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.80
Rot. Bonds14

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

6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol (PubChem CID 87112073) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
PubChem CID87112073
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
SMILESCCCN(CCCCCCO)CCCCCCO
InChIInChI=1S/C15H33NO2/c1-2-11-16(12-7-3-5-9-14-17)13-8-4-6-10-15-18/h17-18H,2-15H2,1H3
InChIKeyKBPPBYADHXBZDG-UHFFFAOYSA-N
XLogP2.80
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.80
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

4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
3-[decyl(propyl)amino]propan-1-ol
CID 13122229
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
bis(N,N-dipropylpropan-1-amine);heptan-1-ol
CID 87768576
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
6-(dibutylamino)hexan-1-ol
CID 22218557
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

Frequently Asked Questions

What is the IUPAC name of 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol?
The IUPAC name of 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol (CID 87112073) is 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol.
What is the SMILES notation for 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol?
The canonical SMILES for 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol is CCCN(CCCCCCO)CCCCCCO.
What is the InChIKey of 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol?
The InChIKey is KBPPBYADHXBZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-2-11-16(12-7-3-5-9-14-17)13-8-4-6-10-15-18/h17-18H,2-15H2,1H3.
What are the key properties of 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol?
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 2.80, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol is sourced from PubChem (CID 87112073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).