2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine

C17H33N3O4 — CID 155396862

IUPAC2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
SMILESC#CCOCCOCCOCCOCCN1CCN(CCN)CC1
InChIInChI=1S/C17H33N3O4/c1-2-10-21-12-14-23-16-17-24-15-13-22-11-9-20-7-5-19(4-3-18)6-8-20/h1H,3-18H2
InChIKeyDFXCRVXMEQBNHH-UHFFFAOYSA-N
MW343.47 g/mol
LogP-0.74
Rot. Bonds15

About 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine

2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine (PubChem CID 155396862) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
PubChem CID155396862
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Name2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
SMILESC#CCOCCOCCOCCOCCN1CCN(CCN)CC1
InChIInChI=1S/C17H33N3O4/c1-2-10-21-12-14-23-16-17-24-15-13-22-11-9-20-7-5-19(4-3-18)6-8-20/h1H,3-18H2
InChIKeyDFXCRVXMEQBNHH-UHFFFAOYSA-N
XLogP-0.74
TPSA69.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
CID 155396876
CID 172894425
CID 172894425
ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
2-(4-but-3-ynylpiperazin-1-yl)ethanamine
CID 170918250
tert-butyl N-[3-[4-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]carbamate
CID 176953652
2-[4-[2-(2-methylpropoxy)ethyl]piperazin-1-yl]ethanamine
CID 106450826
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
CID 170951585
2-[4-[3-(2-methoxyethoxy)propyl]-1,4-diazepan-1-yl]ethanamine
CID 103409181
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
3-[2-[2-[2-[2-(4-prop-2-ynylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 155743004
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
CID 61070861
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine (CID 155396862) is 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine is C#CCOCCOCCOCCOCCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
The InChIKey is DFXCRVXMEQBNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-2-10-21-12-14-23-16-17-24-15-13-22-11-9-20-7-5-19(4-3-18)6-8-20/h1H,3-18H2.
What are the key properties of 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine has a molecular weight of 343.47 g/mol, XLogP of -0.74, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 155396862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).