2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine

C12H27N3O — CID 63620338

IUPAC2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-4-16-10-6-13-5-7-15-9-8-14(3)12(2)11-15/h12-13H,4-11H2,1-3H3
InChIKeyNKFRGENDCJCDKA-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds7

About 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine

2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine (PubChem CID 63620338) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
PubChem CID63620338
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCNCCN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-4-16-10-6-13-5-7-15-9-8-14(3)12(2)11-15/h12-13H,4-11H2,1-3H3
InChIKeyNKFRGENDCJCDKA-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
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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Related Compounds

N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216424
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832
3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619835
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809
N-(2-ethoxyethyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 62561352
N-(2-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63621704
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine (CID 63620338) is 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine is CCOCCNCCN1CCN(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine?
The InChIKey is NKFRGENDCJCDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-16-10-6-13-5-7-15-9-8-14(3)12(2)11-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine?
2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 63620338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).