3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol

C8H23N3O3 — CID 141458925

IUPAC3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol
SMILESNCC(O)CO.NCCCNCCO
InChIInChI=1S/C5H14N2O.C3H9NO2/c6-2-1-3-7-4-5-8;4-1-3(6)2-5/h7-8H,1-6H2;3,5-6H,1-2,4H2
InChIKeyYLMYOOZVPDERLN-UHFFFAOYSA-N
MW209.29 g/mol
LogP-2.78
Rot. Bonds7

About 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol

3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol (PubChem CID 141458925) has the molecular formula C8H23N3O3 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol.

Molecular Properties

Compound Name3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol
PubChem CID141458925
Molecular FormulaC8H23N3O3
Molecular Weight209.29 g/mol
Exact Mass209.17
IUPAC Name3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol
SMILESNCC(O)CO.NCCCNCCO
InChIInChI=1S/C5H14N2O.C3H9NO2/c6-2-1-3-7-4-5-8;4-1-3(6)2-5/h7-8H,1-6H2;3,5-6H,1-2,4H2
InChIKeyYLMYOOZVPDERLN-UHFFFAOYSA-N
XLogP-2.78
TPSA124.76 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.29
LogP ≤ 5-2.78
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-aminopropylamino)butan-1-ol
CID 10725491
3-(3-aminopropylamino)propan-1-ol;dihydrochloride
CID 171689446
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
tris(2-(2-aminoethylamino)ethanol);titanium
CID 172707183
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
3-aminopropane-1,2-diol;hydrate
CID 173080490
2-(2-aminoethylamino)ethanol;1,3-bis(dimethylamino)propan-2-ol
CID 18704362
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
aminophosphonous acid;3-aminopropane-1,2-diol
CID 21467903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687

Frequently Asked Questions

What is the IUPAC name of 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol?
The IUPAC name of 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol (CID 141458925) is 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol.
What is the SMILES notation for 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol?
The canonical SMILES for 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol is NCC(O)CO.NCCCNCCO.
What is the InChIKey of 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol?
The InChIKey is YLMYOOZVPDERLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.C3H9NO2/c6-2-1-3-7-4-5-8;4-1-3(6)2-5/h7-8H,1-6H2;3,5-6H,1-2,4H2.
What are the key properties of 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol?
3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol has a molecular weight of 209.29 g/mol, XLogP of -2.78, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol is sourced from PubChem (CID 141458925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).