2-(ethylamino)ethanol;hydrate

C4H13NO2 — CID 174456532

IUPAC2-(ethylamino)ethanol;hydrate
SMILESCCNCCO.O
InChIInChI=1S/C4H11NO.H2O/c1-2-5-3-4-6;/h5-6H,2-4H2,1H3;1H2
InChIKeyJAJUDISSPFCENB-UHFFFAOYSA-N
MW107.15 g/mol
LogP-1.24
Rot. Bonds3

About 2-(ethylamino)ethanol;hydrate

2-(ethylamino)ethanol;hydrate (PubChem CID 174456532) has the molecular formula C4H13NO2 and a molecular weight of 107.15 g/mol. Its IUPAC name is 2-(ethylamino)ethanol;hydrate.

Molecular Properties

Compound Name2-(ethylamino)ethanol;hydrate
PubChem CID174456532
Molecular FormulaC4H13NO2
Molecular Weight107.15 g/mol
Exact Mass107.09
IUPAC Name2-(ethylamino)ethanol;hydrate
SMILESCCNCCO.O
InChIInChI=1S/C4H11NO.H2O/c1-2-5-3-4-6;/h5-6H,2-4H2,1H3;1H2
InChIKeyJAJUDISSPFCENB-UHFFFAOYSA-N
XLogP-1.24
TPSA63.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethanol
CID 170923531
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
ethane;2-[2-(ethylamino)ethylamino]ethanol
CID 156647808
carbamodithioic acid;2-(ethylamino)ethanol
CID 174237242
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
CID 88639908
2-(ethylamino)ethanol;hexadecan-1-ol
CID 174880813
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
1-(ethylamino)ethanol;2-(ethylamino)ethanol
CID 157298760
ethyl acetate;2-(ethylamino)ethanol
CID 88508580
2-(propylamino)ethanol;hydrobromide
CID 175488073
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethanol;hydrate?
The IUPAC name of 2-(ethylamino)ethanol;hydrate (CID 174456532) is 2-(ethylamino)ethanol;hydrate.
What is the SMILES notation for 2-(ethylamino)ethanol;hydrate?
The canonical SMILES for 2-(ethylamino)ethanol;hydrate is CCNCCO.O.
What is the InChIKey of 2-(ethylamino)ethanol;hydrate?
The InChIKey is JAJUDISSPFCENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.H2O/c1-2-5-3-4-6;/h5-6H,2-4H2,1H3;1H2.
What are the key properties of 2-(ethylamino)ethanol;hydrate?
2-(ethylamino)ethanol;hydrate has a molecular weight of 107.15 g/mol, XLogP of -1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethanol;hydrate is sourced from PubChem (CID 174456532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).