3-ethoxy-N-(3-ethoxypropyl)propan-1-amine

C10H23NO2 — CID 19002500

IUPAC3-ethoxy-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCCCOCC
InChIInChI=1S/C10H23NO2/c1-3-12-9-5-7-11-8-6-10-13-4-2/h11H,3-10H2,1-2H3
InChIKeyFFGXCWKJJLKEPZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.43
Rot. Bonds10

About 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine

3-ethoxy-N-(3-ethoxypropyl)propan-1-amine (PubChem CID 19002500) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-ethoxypropyl)propan-1-amine
PubChem CID19002500
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-ethoxy-N-(3-ethoxypropyl)propan-1-amine
SMILESCCOCCCNCCCOCC
InChIInChI=1S/C10H23NO2/c1-3-12-9-5-7-11-8-6-10-13-4-2/h11H,3-10H2,1-2H3
InChIKeyFFGXCWKJJLKEPZ-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxy-N-(3-ethoxypropyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine (CID 19002500) is 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine is CCOCCCNCCCOCC.
What is the InChIKey of 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine?
The InChIKey is FFGXCWKJJLKEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-3-12-9-5-7-11-8-6-10-13-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine?
3-ethoxy-N-(3-ethoxypropyl)propan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-ethoxypropyl)propan-1-amine is sourced from PubChem (CID 19002500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).