2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine

C11H25N3O — CID 79479691

IUPAC2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine
SMILESCN1CCN(CCOCCN)CC1(C)C
InChIInChI=1S/C11H25N3O/c1-11(2)10-14(6-5-13(11)3)7-9-15-8-4-12/h4-10,12H2,1-3H3
InChIKeyDFXSQMCBKYNKTH-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.01
Rot. Bonds5

About 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine

2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine (PubChem CID 79479691) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine
PubChem CID79479691
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine
SMILESCN1CCN(CCOCCN)CC1(C)C
InChIInChI=1S/C11H25N3O/c1-11(2)10-14(6-5-13(11)3)7-9-15-8-4-12/h4-10,12H2,1-3H3
InChIKeyDFXSQMCBKYNKTH-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine (CID 79479691) is 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine is CN1CCN(CCOCCN)CC1(C)C.
What is the InChIKey of 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine?
The InChIKey is DFXSQMCBKYNKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(2)10-14(6-5-13(11)3)7-9-15-8-4-12/h4-10,12H2,1-3H3.
What are the key properties of 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine?
2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine has a molecular weight of 215.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 79479691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).