3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol

C11H26N2O3 — CID 177226781

IUPAC3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol
SMILESCC(OCCCN)OCCCNCCCO
InChIInChI=1S/C11H26N2O3/c1-11(15-9-2-5-12)16-10-4-7-13-6-3-8-14/h11,13-14H,2-10,12H2,1H3
InChIKeyAFJMPBGKCFMISR-UHFFFAOYSA-N
MW234.34 g/mol
LogP0.08
Rot. Bonds12

About 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol

3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol (PubChem CID 177226781) has the molecular formula C11H26N2O3 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol
PubChem CID177226781
Molecular FormulaC11H26N2O3
Molecular Weight234.34 g/mol
Exact Mass234.19
IUPAC Name3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol
SMILESCC(OCCCN)OCCCNCCCO
InChIInChI=1S/C11H26N2O3/c1-11(15-9-2-5-12)16-10-4-7-13-6-3-8-14/h11,13-14H,2-10,12H2,1H3
InChIKeyAFJMPBGKCFMISR-UHFFFAOYSA-N
XLogP0.08
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropylamino)propan-1-ol;dihydrochloride
CID 171689446
3-(3-aminooxypropylamino)propan-1-ol
CID 88883874
4-(3-aminopropylamino)butan-1-ol
CID 10725491
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
pentacosan-1-amine;3-(pentacosylamino)propan-1-ol
CID 155339382
1-(3-aminopropoxy)ethanol
CID 19915425
4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
CID 57194554
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
3-(2-aminooxyethylamino)propan-1-ol
CID 126756651
3-propan-2-yloxypropan-1-amine;hydrochloride
CID 18670799
tris(2-(2-aminoethylamino)ethanol);propan-2-ol;titanium
CID 76711756
2-(1-butoxyethoxy)ethanol;pentan-1-ol
CID 88518213

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol?
The IUPAC name of 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol (CID 177226781) is 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol.
What is the SMILES notation for 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol?
The canonical SMILES for 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol is CC(OCCCN)OCCCNCCCO.
What is the InChIKey of 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol?
The InChIKey is AFJMPBGKCFMISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3/c1-11(15-9-2-5-12)16-10-4-7-13-6-3-8-14/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol?
3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 0.08, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(3-aminopropoxy)ethoxy]propylamino]propan-1-ol is sourced from PubChem (CID 177226781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).