3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine

C14H31N3O — CID 63619835

IUPAC3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCN1CCN(C)C(CC)C1
InChIInChI=1S/C14H31N3O/c1-4-14-13-17(11-10-16(14)3)9-8-15-7-6-12-18-5-2/h14-15H,4-13H2,1-3H3
InChIKeyACGDSAHRUPAHKI-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds9

About 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine

3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine (PubChem CID 63619835) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
PubChem CID63619835
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
SMILESCCOCCCNCCN1CCN(C)C(CC)C1
InChIInChI=1S/C14H31N3O/c1-4-14-13-17(11-10-16(14)3)9-8-15-7-6-12-18-5-2/h14-15H,4-13H2,1-3H3
InChIKeyACGDSAHRUPAHKI-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
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-butoxyethyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 63621704
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832
3-ethoxy-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]propan-1-amine
CID 79170897
2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 63620338
3-ethoxy-N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]propan-1-amine
CID 55158969
3-ethoxy-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 139481440
N-[3-(3-ethyl-4-methylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 63611055
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
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
CID 55217199
N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216424

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine (CID 63619835) is 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine is CCOCCCNCCN1CCN(C)C(CC)C1.
What is the InChIKey of 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine?
The InChIKey is ACGDSAHRUPAHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-14-13-17(11-10-16(14)3)9-8-15-7-6-12-18-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine?
3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63619835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).