2-aminoethanol;propane-1,1-diol

C5H15NO3 — CID 88518162

IUPAC2-aminoethanol;propane-1,1-diol
SMILESCCC(O)O.NCCO
InChIInChI=1S/C3H8O2.C2H7NO/c1-2-3(4)5;3-1-2-4/h3-5H,2H2,1H3;4H,1-3H2
InChIKeyKYQXVZQEFQIYMN-UHFFFAOYSA-N
MW137.18 g/mol
LogP-1.36
Rot. Bonds2

About 2-aminoethanol;propane-1,1-diol

2-aminoethanol;propane-1,1-diol (PubChem CID 88518162) has the molecular formula C5H15NO3 and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-aminoethanol;propane-1,1-diol.

Molecular Properties

Compound Name2-aminoethanol;propane-1,1-diol
PubChem CID88518162
Molecular FormulaC5H15NO3
Molecular Weight137.18 g/mol
Exact Mass137.11
IUPAC Name2-aminoethanol;propane-1,1-diol
SMILESCCC(O)O.NCCO
InChIInChI=1S/C3H8O2.C2H7NO/c1-2-3(4)5;3-1-2-4/h3-5H,2H2,1H3;4H,1-3H2
InChIKeyKYQXVZQEFQIYMN-UHFFFAOYSA-N
XLogP-1.36
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 90422212
bis(propane-1,1-diol);bis(propan-1-ol)
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tris(2-aminoethanol);propan-2-ol;titanium
CID 173415669
butane-1,4-diol;propane-1,1-diol
CID 122480179
methane;propane-1,1-diol
CID 157390682
2-aminoethanol;ethane
CID 90703907
2-aminoethanol;bis(1-aminopropan-2-ol)
CID 88781577
2-aminoethanol
CID 159229127
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 87375731
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CID 141479363
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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;propane-1,1-diol?
The IUPAC name of 2-aminoethanol;propane-1,1-diol (CID 88518162) is 2-aminoethanol;propane-1,1-diol.
What is the SMILES notation for 2-aminoethanol;propane-1,1-diol?
The canonical SMILES for 2-aminoethanol;propane-1,1-diol is CCC(O)O.NCCO.
What is the InChIKey of 2-aminoethanol;propane-1,1-diol?
The InChIKey is KYQXVZQEFQIYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H7NO/c1-2-3(4)5;3-1-2-4/h3-5H,2H2,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;propane-1,1-diol?
2-aminoethanol;propane-1,1-diol has a molecular weight of 137.18 g/mol, XLogP of -1.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;propane-1,1-diol is sourced from PubChem (CID 88518162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).