2-(2-hydroxyethylamino)ethanol;propane

C7H19NO2 — CID 142274456

IUPAC2-(2-hydroxyethylamino)ethanol;propane
SMILESCCC.OCCNCCO
InChIInChI=1S/C4H11NO2.C3H8/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2;3H2,1-2H3
InChIKeyHKCLJTKNVFREPD-UHFFFAOYSA-N
MW149.23 g/mol
LogP-0.02
Rot. Bonds4

About 2-(2-hydroxyethylamino)ethanol;propane

2-(2-hydroxyethylamino)ethanol;propane (PubChem CID 142274456) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;propane.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;propane
PubChem CID142274456
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Name2-(2-hydroxyethylamino)ethanol;propane
SMILESCCC.OCCNCCO
InChIInChI=1S/C4H11NO2.C3H8/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2;3H2,1-2H3
InChIKeyHKCLJTKNVFREPD-UHFFFAOYSA-N
XLogP-0.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 5-0.02
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

2-(propylamino)ethanol;hydrobromide
CID 175488073
ethanamine;2-(2-hydroxyethylamino)ethanol;hydrofluoride
CID 175606240
2-(ethylamino)ethanol
CID 170923531
ethane;2-[2-(ethylamino)ethylamino]ethanol
CID 156647808
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
2-(ethylamino)ethanol;hydrate
CID 174456532
2-(2-hydroxyethylamino)ethanol;propanoic acid
CID 161172891
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
ethane;propane;propan-1-ol;N-propylpropan-1-amine
CID 143703279
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;propane?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;propane (CID 142274456) is 2-(2-hydroxyethylamino)ethanol;propane.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;propane?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;propane is CCC.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;propane?
The InChIKey is HKCLJTKNVFREPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H8/c6-3-1-5-2-4-7;1-3-2/h5-7H,1-4H2;3H2,1-2H3.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;propane?
2-(2-hydroxyethylamino)ethanol;propane has a molecular weight of 149.23 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;propane is sourced from PubChem (CID 142274456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).