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

C8H22N2O2 — CID 157298760

IUPAC1-(ethylamino)ethanol;2-(ethylamino)ethanol
SMILESCCNC(C)O.CCNCCO
InChIInChI=1S/2C4H11NO/c1-3-5-4(2)6;1-2-5-3-4-6/h4-6H,3H2,1-2H3;5-6H,2-4H2,1H3
InChIKeyBBQMSJCYWLBZRN-UHFFFAOYSA-N
MW178.28 g/mol
LogP-0.48
Rot. Bonds5

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

1-(ethylamino)ethanol;2-(ethylamino)ethanol (PubChem CID 157298760) has the molecular formula C8H22N2O2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(ethylamino)ethanol;2-(ethylamino)ethanol.

Molecular Properties

Compound Name1-(ethylamino)ethanol;2-(ethylamino)ethanol
PubChem CID157298760
Molecular FormulaC8H22N2O2
Molecular Weight178.28 g/mol
Exact Mass178.17
IUPAC Name1-(ethylamino)ethanol;2-(ethylamino)ethanol
SMILESCCNC(C)O.CCNCCO
InChIInChI=1S/2C4H11NO/c1-3-5-4(2)6;1-2-5-3-4-6/h4-6H,3H2,1-2H3;5-6H,2-4H2,1H3
InChIKeyBBQMSJCYWLBZRN-UHFFFAOYSA-N
XLogP-0.48
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)ethanol
CID 170923531
2-(ethylamino)ethanol;hydrate
CID 174456532
2-(ethylamino)ethanol;hydroxylamine
CID 159506848
ethane;2-[2-(ethylamino)ethylamino]ethanol
CID 156647808
1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175145973
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
carbamodithioic acid;2-(ethylamino)ethanol
CID 174237242
2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol
CID 88755673
ethyl acetate;2-(ethylamino)ethanol
CID 88508580
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
CID 88639908
2-(ethylamino)ethanol;hexadecan-1-ol
CID 174880813
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)ethanol;2-(ethylamino)ethanol?
The IUPAC name of 1-(ethylamino)ethanol;2-(ethylamino)ethanol (CID 157298760) is 1-(ethylamino)ethanol;2-(ethylamino)ethanol.
What is the SMILES notation for 1-(ethylamino)ethanol;2-(ethylamino)ethanol?
The canonical SMILES for 1-(ethylamino)ethanol;2-(ethylamino)ethanol is CCNC(C)O.CCNCCO.
What is the InChIKey of 1-(ethylamino)ethanol;2-(ethylamino)ethanol?
The InChIKey is BBQMSJCYWLBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NO/c1-3-5-4(2)6;1-2-5-3-4-6/h4-6H,3H2,1-2H3;5-6H,2-4H2,1H3.
What are the key properties of 1-(ethylamino)ethanol;2-(ethylamino)ethanol?
1-(ethylamino)ethanol;2-(ethylamino)ethanol has a molecular weight of 178.28 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)ethanol;2-(ethylamino)ethanol is sourced from PubChem (CID 157298760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).