3-[1-(3-aminopropoxy)ethoxy]propan-1-amine

C8H20N2O2 — CID 18945828

IUPAC3-[1-(3-aminopropoxy)ethoxy]propan-1-amine
SMILESCC(OCCCN)OCCCN
InChIInChI=1S/C8H20N2O2/c1-8(11-6-2-4-9)12-7-3-5-10/h8H,2-7,9-10H2,1H3
InChIKeyHPIXFUTWHVJYBG-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.06
Rot. Bonds8

About 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine

3-[1-(3-aminopropoxy)ethoxy]propan-1-amine (PubChem CID 18945828) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[1-(3-aminopropoxy)ethoxy]propan-1-amine
PubChem CID18945828
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name3-[1-(3-aminopropoxy)ethoxy]propan-1-amine
SMILESCC(OCCCN)OCCCN
InChIInChI=1S/C8H20N2O2/c1-8(11-6-2-4-9)12-7-3-5-10/h8H,2-7,9-10H2,1H3
InChIKeyHPIXFUTWHVJYBG-UHFFFAOYSA-N
XLogP0.06
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine?
The IUPAC name of 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine (CID 18945828) is 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine.
What is the SMILES notation for 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine?
The canonical SMILES for 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine is CC(OCCCN)OCCCN.
What is the InChIKey of 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine?
The InChIKey is HPIXFUTWHVJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-8(11-6-2-4-9)12-7-3-5-10/h8H,2-7,9-10H2,1H3.
What are the key properties of 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine?
3-[1-(3-aminopropoxy)ethoxy]propan-1-amine has a molecular weight of 176.26 g/mol, XLogP of 0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropoxy)ethoxy]propan-1-amine is sourced from PubChem (CID 18945828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).