dodecan-1-ol;2-(2-hydroxyethylamino)ethanol

C16H37NO3 — CID 174424821

IUPACdodecan-1-ol;2-(2-hydroxyethylamino)ethanol
SMILESCCCCCCCCCCCCO.OCCNCCO
InChIInChI=1S/C12H26O.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;6-3-1-5-2-4-7/h13H,2-12H2,1H3;5-7H,1-4H2
InChIKeyZAVMIUIXMUEBHJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.46
Rot. Bonds14

About dodecan-1-ol;2-(2-hydroxyethylamino)ethanol

dodecan-1-ol;2-(2-hydroxyethylamino)ethanol (PubChem CID 174424821) has the molecular formula C16H37NO3 and a molecular weight of 291.48 g/mol. Its IUPAC name is dodecan-1-ol;2-(2-hydroxyethylamino)ethanol.

Molecular Properties

Compound Namedodecan-1-ol;2-(2-hydroxyethylamino)ethanol
PubChem CID174424821
Molecular FormulaC16H37NO3
Molecular Weight291.48 g/mol
Exact Mass291.28
IUPAC Namedodecan-1-ol;2-(2-hydroxyethylamino)ethanol
SMILESCCCCCCCCCCCCO.OCCNCCO
InChIInChI=1S/C12H26O.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;6-3-1-5-2-4-7/h13H,2-12H2,1H3;5-7H,1-4H2
InChIKeyZAVMIUIXMUEBHJ-UHFFFAOYSA-N
XLogP2.46
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethanol;hexadecan-1-ol
CID 174880813
8-(undecylamino)octan-1-ol
CID 139305047
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
hexan-1-ol;nonane
CID 175106830
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of dodecan-1-ol;2-(2-hydroxyethylamino)ethanol?
The IUPAC name of dodecan-1-ol;2-(2-hydroxyethylamino)ethanol (CID 174424821) is dodecan-1-ol;2-(2-hydroxyethylamino)ethanol.
What is the SMILES notation for dodecan-1-ol;2-(2-hydroxyethylamino)ethanol?
The canonical SMILES for dodecan-1-ol;2-(2-hydroxyethylamino)ethanol is CCCCCCCCCCCCO.OCCNCCO.
What is the InChIKey of dodecan-1-ol;2-(2-hydroxyethylamino)ethanol?
The InChIKey is ZAVMIUIXMUEBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13;6-3-1-5-2-4-7/h13H,2-12H2,1H3;5-7H,1-4H2.
What are the key properties of dodecan-1-ol;2-(2-hydroxyethylamino)ethanol?
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol has a molecular weight of 291.48 g/mol, XLogP of 2.46, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecan-1-ol;2-(2-hydroxyethylamino)ethanol is sourced from PubChem (CID 174424821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).