3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine

C15H36N4O3 — CID 23340072

IUPAC3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine
SMILESNCCCOCCN(CCOCCCN)CCOCCCN
InChIInChI=1S/C15H36N4O3/c16-4-1-10-20-13-7-19(8-14-21-11-2-5-17)9-15-22-12-3-6-18/h1-18H2
InChIKeyJVUFOLHEAQXISM-UHFFFAOYSA-N
MW320.48 g/mol
LogP-0.62
Rot. Bonds18

About 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine

3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine (PubChem CID 23340072) has the molecular formula C15H36N4O3 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine
PubChem CID23340072
Molecular FormulaC15H36N4O3
Molecular Weight320.48 g/mol
Exact Mass320.28
IUPAC Name3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine
SMILESNCCCOCCN(CCOCCCN)CCOCCCN
InChIInChI=1S/C15H36N4O3/c16-4-1-10-20-13-7-19(8-14-21-11-2-5-17)9-15-22-12-3-6-18/h1-18H2
InChIKeyJVUFOLHEAQXISM-UHFFFAOYSA-N
XLogP-0.62
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine?
The IUPAC name of 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine (CID 23340072) is 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine?
The canonical SMILES for 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine is NCCCOCCN(CCOCCCN)CCOCCCN.
What is the InChIKey of 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine?
The InChIKey is JVUFOLHEAQXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H36N4O3/c16-4-1-10-20-13-7-19(8-14-21-11-2-5-17)9-15-22-12-3-6-18/h1-18H2.
What are the key properties of 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine?
3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine has a molecular weight of 320.48 g/mol, XLogP of -0.62, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[bis[2-(3-aminopropoxy)ethyl]amino]ethoxy]propan-1-amine is sourced from PubChem (CID 23340072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).