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

C10H29N3O3 — CID 88755673

IUPAC2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol
SMILESCCNC(C)O.CN(C)CCO.NCCO
InChIInChI=1S/2C4H11NO.C2H7NO/c1-5(2)3-4-6;1-3-5-4(2)6;3-1-2-4/h6H,3-4H2,1-2H3;4-6H,3H2,1-2H3;4H,1-3H2
InChIKeyOIIWBDPTCWXRQO-UHFFFAOYSA-N
MW239.36 g/mol
LogP-1.59
Rot. Bonds5

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

2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol (PubChem CID 88755673) has the molecular formula C10H29N3O3 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol.

Molecular Properties

Compound Name2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol
PubChem CID88755673
Molecular FormulaC10H29N3O3
Molecular Weight239.36 g/mol
Exact Mass239.22
IUPAC Name2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol
SMILESCCNC(C)O.CN(C)CCO.NCCO
InChIInChI=1S/2C4H11NO.C2H7NO/c1-5(2)3-4-6;1-3-5-4(2)6;3-1-2-4/h6H,3-4H2,1-2H3;4-6H,3H2,1-2H3;4H,1-3H2
InChIKeyOIIWBDPTCWXRQO-UHFFFAOYSA-N
XLogP-1.59
TPSA101.98 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 5-1.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)ethanol;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 175145973
1-(ethylamino)ethanol;2-(ethylamino)ethanol
CID 157298760
2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
CID 173459729
2-aminoethanol;propane-1,1-diol
CID 88518162
2-(dimethylamino)ethanol;ethanol;zirconium
CID 154069577
CID 161066727
CID 161066727
copper;bis(2-(dimethylamino)ethanol)
CID 58904293
2-(dimethylamino)ethanol;propane-1,2,3-triol
CID 87640788
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
CID 88639908
tris(2-aminoethanol);propan-2-ol;titanium
CID 173415669
2-aminoethanol;N,N-dimethylmethanamine
CID 159503972
1-[2-[1-hydroxyethyl(2-hydroxyethyl)amino]ethylamino]ethanol
CID 88556534

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol?
The IUPAC name of 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol (CID 88755673) is 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol.
What is the SMILES notation for 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol?
The canonical SMILES for 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol is CCNC(C)O.CN(C)CCO.NCCO.
What is the InChIKey of 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol?
The InChIKey is OIIWBDPTCWXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H11NO.C2H7NO/c1-5(2)3-4-6;1-3-5-4(2)6;3-1-2-4/h6H,3-4H2,1-2H3;4-6H,3H2,1-2H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol?
2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol has a molecular weight of 239.36 g/mol, XLogP of -1.59, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-(dimethylamino)ethanol;1-(ethylamino)ethanol is sourced from PubChem (CID 88755673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).