3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine

C11H25N3O — CID 139481440

IUPAC3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCCOCCCNCCN1CCNCC1
InChIInChI=1S/C11H25N3O/c1-2-15-11-3-4-12-5-8-14-9-6-13-7-10-14/h12-13H,2-11H2,1H3
InChIKeyHEEBAXYLTHVGDJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.09
Rot. Bonds8

About 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine

3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine (PubChem CID 139481440) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
PubChem CID139481440
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
SMILESCCOCCCNCCN1CCNCC1
InChIInChI=1S/C11H25N3O/c1-2-15-11-3-4-12-5-8-14-9-6-13-7-10-14/h12-13H,2-11H2,1H3
InChIKeyHEEBAXYLTHVGDJ-UHFFFAOYSA-N
XLogP-0.09
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-piperazin-1-ylethylamino)propoxy]ethanol
CID 57147651
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
4-ethoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 62575512
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62773502
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-propoxypropan-1-amine
CID 82944415

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine (CID 139481440) is 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine is CCOCCCNCCN1CCNCC1.
What is the InChIKey of 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine?
The InChIKey is HEEBAXYLTHVGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-2-15-11-3-4-12-5-8-14-9-6-13-7-10-14/h12-13H,2-11H2,1H3.
What are the key properties of 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine?
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 139481440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).