2-(ethylamino)ethanol;hexadecan-1-ol

C20H45NO2 — CID 174880813

IUPAC2-(ethylamino)ethanol;hexadecan-1-ol
SMILESCCCCCCCCCCCCCCCCO.CCNCCO
InChIInChI=1S/C16H34O.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-5-3-4-6/h17H,2-16H2,1H3;5-6H,2-4H2,1H3
InChIKeyMKIPJVIICASULL-UHFFFAOYSA-N
MW331.59 g/mol
LogP5.05
Rot. Bonds17

About 2-(ethylamino)ethanol;hexadecan-1-ol

2-(ethylamino)ethanol;hexadecan-1-ol (PubChem CID 174880813) has the molecular formula C20H45NO2 and a molecular weight of 331.59 g/mol. Its IUPAC name is 2-(ethylamino)ethanol;hexadecan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)ethanol;hexadecan-1-ol
PubChem CID174880813
Molecular FormulaC20H45NO2
Molecular Weight331.59 g/mol
Exact Mass331.35
IUPAC Name2-(ethylamino)ethanol;hexadecan-1-ol
SMILESCCCCCCCCCCCCCCCCO.CCNCCO
InChIInChI=1S/C16H34O.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-5-3-4-6/h17H,2-16H2,1H3;5-6H,2-4H2,1H3
InChIKeyMKIPJVIICASULL-UHFFFAOYSA-N
XLogP5.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
2-(ethylamino)ethanol
CID 170923531
8-(undecylamino)octan-1-ol
CID 139305047
2-(ethylamino)ethanol;hydrate
CID 174456532
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
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

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethanol;hexadecan-1-ol?
The IUPAC name of 2-(ethylamino)ethanol;hexadecan-1-ol (CID 174880813) is 2-(ethylamino)ethanol;hexadecan-1-ol.
What is the SMILES notation for 2-(ethylamino)ethanol;hexadecan-1-ol?
The canonical SMILES for 2-(ethylamino)ethanol;hexadecan-1-ol is CCCCCCCCCCCCCCCCO.CCNCCO.
What is the InChIKey of 2-(ethylamino)ethanol;hexadecan-1-ol?
The InChIKey is MKIPJVIICASULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-5-3-4-6/h17H,2-16H2,1H3;5-6H,2-4H2,1H3.
What are the key properties of 2-(ethylamino)ethanol;hexadecan-1-ol?
2-(ethylamino)ethanol;hexadecan-1-ol has a molecular weight of 331.59 g/mol, XLogP of 5.05, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanol;hexadecan-1-ol is sourced from PubChem (CID 174880813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).