8-(diethylamino)octane-1,7-diol

C12H27NO2 — CID 19030812

IUPAC8-(diethylamino)octane-1,7-diol
SMILESCCN(CC)CC(O)CCCCCCO
InChIInChI=1S/C12H27NO2/c1-3-13(4-2)11-12(15)9-7-5-6-8-10-14/h12,14-15H,3-11H2,1-2H3
InChIKeyRGHNXIINTCBEIW-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.63
Rot. Bonds10

About 8-(diethylamino)octane-1,7-diol

8-(diethylamino)octane-1,7-diol (PubChem CID 19030812) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 8-(diethylamino)octane-1,7-diol.

Molecular Properties

Compound Name8-(diethylamino)octane-1,7-diol
PubChem CID19030812
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name8-(diethylamino)octane-1,7-diol
SMILESCCN(CC)CC(O)CCCCCCO
InChIInChI=1S/C12H27NO2/c1-3-13(4-2)11-12(15)9-7-5-6-8-10-14/h12,14-15H,3-11H2,1-2H3
InChIKeyRGHNXIINTCBEIW-UHFFFAOYSA-N
XLogP1.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.63
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

1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
undecane-1,9-diol
CID 56629636
decane-1,8-diol
CID 160857478
octane-1,6-diol
CID 159745348
icosane-1,18-diol
CID 87114916
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
methyl 11-(diethylamino)-10-hydroxyundecanoate
CID 3384962
icosane-1,11-diol
CID 56976881
tetradecane-1,11-diol
CID 11390599

Frequently Asked Questions

What is the IUPAC name of 8-(diethylamino)octane-1,7-diol?
The IUPAC name of 8-(diethylamino)octane-1,7-diol (CID 19030812) is 8-(diethylamino)octane-1,7-diol.
What is the SMILES notation for 8-(diethylamino)octane-1,7-diol?
The canonical SMILES for 8-(diethylamino)octane-1,7-diol is CCN(CC)CC(O)CCCCCCO.
What is the InChIKey of 8-(diethylamino)octane-1,7-diol?
The InChIKey is RGHNXIINTCBEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-13(4-2)11-12(15)9-7-5-6-8-10-14/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 8-(diethylamino)octane-1,7-diol?
8-(diethylamino)octane-1,7-diol has a molecular weight of 217.35 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylamino)octane-1,7-diol is sourced from PubChem (CID 19030812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).