3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine

C22H47NO2 — CID 22735031

IUPAC3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine
SMILESCCCCC(CC)COCCCNCCCOCC(CC)CCCC
InChIInChI=1S/C22H47NO2/c1-5-9-13-21(7-3)19-24-17-11-15-23-16-12-18-25-20-22(8-4)14-10-6-2/h21-23H,5-20H2,1-4H3
InChIKeyROIWWINNGVRVLY-UHFFFAOYSA-N
MW357.62 g/mol
LogP5.82
Rot. Bonds20

About 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine

3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine (PubChem CID 22735031) has the molecular formula C22H47NO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine
PubChem CID22735031
Molecular FormulaC22H47NO2
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC Name3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine
SMILESCCCCC(CC)COCCCNCCCOCC(CC)CCCC
InChIInChI=1S/C22H47NO2/c1-5-9-13-21(7-3)19-24-17-11-15-23-16-12-18-25-20-22(8-4)14-10-6-2/h21-23H,5-20H2,1-4H3
InChIKeyROIWWINNGVRVLY-UHFFFAOYSA-N
XLogP5.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 55.82
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-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine?
The IUPAC name of 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine (CID 22735031) is 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine?
The canonical SMILES for 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine is CCCCC(CC)COCCCNCCCOCC(CC)CCCC.
What is the InChIKey of 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine?
The InChIKey is ROIWWINNGVRVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2/c1-5-9-13-21(7-3)19-24-17-11-15-23-16-12-18-25-20-22(8-4)14-10-6-2/h21-23H,5-20H2,1-4H3.
What are the key properties of 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine?
3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine has a molecular weight of 357.62 g/mol, XLogP of 5.82, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-N-[3-(2-ethylhexoxy)propyl]propan-1-amine is sourced from PubChem (CID 22735031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).