6-(diethylamino)hexane-1,2-diol

C10H23NO2 — CID 18995566

IUPAC6-(diethylamino)hexane-1,2-diol
SMILESCCN(CC)CCCCC(O)CO
InChIInChI=1S/C10H23NO2/c1-3-11(4-2)8-6-5-7-10(13)9-12/h10,12-13H,3-9H2,1-2H3
InChIKeyAOGNBZUNYPRTLJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP0.85
Rot. Bonds8

About 6-(diethylamino)hexane-1,2-diol

6-(diethylamino)hexane-1,2-diol (PubChem CID 18995566) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 6-(diethylamino)hexane-1,2-diol.

Molecular Properties

Compound Name6-(diethylamino)hexane-1,2-diol
PubChem CID18995566
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name6-(diethylamino)hexane-1,2-diol
SMILESCCN(CC)CCCCC(O)CO
InChIInChI=1S/C10H23NO2/c1-3-11(4-2)8-6-5-7-10(13)9-12/h10,12-13H,3-9H2,1-2H3
InChIKeyAOGNBZUNYPRTLJ-UHFFFAOYSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.85
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

3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838
7-(diethylamino)heptan-2-ol
CID 168866586
1-(diethylamino)octan-3-ol
CID 79086680
(2S)-7-(diethylamino)-2-propylheptan-1-ol
CID 118889803
dodecane-1,2,11,12-tetrol
CID 71392430
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
3-[5-(diethylamino)pentan-2-ylamino]propane-1,2-diol
CID 76891494
tricosane-1,2-diol
CID 42607324
(2R)-nonadecane-1,2-diol
CID 124511707
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
octane-1,2-diol
CID 159791136

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)hexane-1,2-diol?
The IUPAC name of 6-(diethylamino)hexane-1,2-diol (CID 18995566) is 6-(diethylamino)hexane-1,2-diol.
What is the SMILES notation for 6-(diethylamino)hexane-1,2-diol?
The canonical SMILES for 6-(diethylamino)hexane-1,2-diol is CCN(CC)CCCCC(O)CO.
What is the InChIKey of 6-(diethylamino)hexane-1,2-diol?
The InChIKey is AOGNBZUNYPRTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-11(4-2)8-6-5-7-10(13)9-12/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 6-(diethylamino)hexane-1,2-diol?
6-(diethylamino)hexane-1,2-diol has a molecular weight of 189.30 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)hexane-1,2-diol is sourced from PubChem (CID 18995566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).