2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol

C8H22N2O4 — CID 173459729

IUPAC2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(C(C)O)C(C)O.NCCO
InChIInChI=1S/C6H15NO3.C2H7NO/c1-4(8)7(5(2)9)6(3)10;3-1-2-4/h4-6,8-10H,1-3H3;4H,1-3H2
InChIKeyAOVVRGQIYQZRHA-UHFFFAOYSA-N
MW210.27 g/mol
LogP-1.76
Rot. Bonds4

About 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol

2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol (PubChem CID 173459729) has the molecular formula C8H22N2O4 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
PubChem CID173459729
Molecular FormulaC8H22N2O4
Molecular Weight210.27 g/mol
Exact Mass210.16
IUPAC Name2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(C(C)O)C(C)O.NCCO
InChIInChI=1S/C6H15NO3.C2H7NO/c1-4(8)7(5(2)9)6(3)10;3-1-2-4/h4-6,8-10H,1-3H3;4H,1-3H2
InChIKeyAOVVRGQIYQZRHA-UHFFFAOYSA-N
XLogP-1.76
TPSA110.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 5-1.76
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

tris(2-aminoethanol);propan-2-ol;titanium
CID 173415669
2-aminoethanol;bis(1-aminopropan-2-ol)
CID 88781577
2-aminoethanol;N,N-dimethylmethanamine
CID 159503972
2-aminoethanol;ethane
CID 90703907
(1S)-1-[bis[(1R)-1-hydroxyethyl]amino]propan-1-ol
CID 124562463
2-aminoethanol;propane-1,1-diol
CID 88518162
2-aminoethanol;2-hydroxypropanal
CID 88787093
2-aminoethanol
CID 159229127
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 87375731
2-aminoethanol;N,N-dimethylmethanamine;hydrochloride
CID 174601268
2-aminoethanol;N,N-dimethylmethanamine;dihydrate
CID 174282779

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol (CID 173459729) is 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol is CC(O)N(C(C)O)C(C)O.NCCO.
What is the InChIKey of 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol?
The InChIKey is AOVVRGQIYQZRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C2H7NO/c1-4(8)7(5(2)9)6(3)10;3-1-2-4/h4-6,8-10H,1-3H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol?
2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol has a molecular weight of 210.27 g/mol, XLogP of -1.76, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;1-[bis(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 173459729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).