2-[3-(3-aminopropoxy)propoxy]ethanol

C8H19NO3 — CID 87504728

IUPAC2-[3-(3-aminopropoxy)propoxy]ethanol
SMILESNCCCOCCCOCCO
InChIInChI=1S/C8H19NO3/c9-3-1-5-11-6-2-7-12-8-4-10/h10H,1-9H2
InChIKeyQXGZCHOUGKZGBJ-UHFFFAOYSA-N
MW177.24 g/mol
LogP-0.25
Rot. Bonds9

About 2-[3-(3-aminopropoxy)propoxy]ethanol

2-[3-(3-aminopropoxy)propoxy]ethanol (PubChem CID 87504728) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-[3-(3-aminopropoxy)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(3-aminopropoxy)propoxy]ethanol
PubChem CID87504728
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-[3-(3-aminopropoxy)propoxy]ethanol
SMILESNCCCOCCCOCCO
InChIInChI=1S/C8H19NO3/c9-3-1-5-11-6-2-7-12-8-4-10/h10H,1-9H2
InChIKeyQXGZCHOUGKZGBJ-UHFFFAOYSA-N
XLogP-0.25
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 175701679
4-[2-(3-aminopropoxy)ethoxy]butan-1-ol
CID 58517376
butan-1-amine;2-(2-hydroxyethoxy)ethanol
CID 158511117
2-(2-aminoethoxy)ethanol;3-[2-[2-[2-[2-(3-aminopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]propan-1-amine
CID 88780481
2-(2-aminoethoxy)ethanol;ethane;propane
CID 144692156
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
2-octadecoxyethanol;propan-1-amine
CID 174446488
2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]dodecoxy]ethoxy]ethoxy]ethanol
CID 71344110
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-aminopropoxy)propoxy]ethanol?
The IUPAC name of 2-[3-(3-aminopropoxy)propoxy]ethanol (CID 87504728) is 2-[3-(3-aminopropoxy)propoxy]ethanol.
What is the SMILES notation for 2-[3-(3-aminopropoxy)propoxy]ethanol?
The canonical SMILES for 2-[3-(3-aminopropoxy)propoxy]ethanol is NCCCOCCCOCCO.
What is the InChIKey of 2-[3-(3-aminopropoxy)propoxy]ethanol?
The InChIKey is QXGZCHOUGKZGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3/c9-3-1-5-11-6-2-7-12-8-4-10/h10H,1-9H2.
What are the key properties of 2-[3-(3-aminopropoxy)propoxy]ethanol?
2-[3-(3-aminopropoxy)propoxy]ethanol has a molecular weight of 177.24 g/mol, XLogP of -0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-aminopropoxy)propoxy]ethanol is sourced from PubChem (CID 87504728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).