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

C18H40N6O2 — CID 67951233

IUPAC2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
SMILESCC(OCCN1CCN(CCN)CC1)OCCN1CCN(CCN)CC1
InChIInChI=1S/C18H40N6O2/c1-18(25-16-14-23-10-6-21(4-2-19)7-11-23)26-17-15-24-12-8-22(5-3-20)9-13-24/h18H,2-17,19-20H2,1H3
InChIKeyQZTHYTWDYHTIKM-UHFFFAOYSA-N
MW372.56 g/mol
LogP-1.48
Rot. Bonds12

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

2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine (PubChem CID 67951233) has the molecular formula C18H40N6O2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
PubChem CID67951233
Molecular FormulaC18H40N6O2
Molecular Weight372.56 g/mol
Exact Mass372.32
IUPAC Name2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
SMILESCC(OCCN1CCN(CCN)CC1)OCCN1CCN(CCN)CC1
InChIInChI=1S/C18H40N6O2/c1-18(25-16-14-23-10-6-21(4-2-19)7-11-23)26-17-15-24-12-8-22(5-3-20)9-13-24/h18H,2-17,19-20H2,1H3
InChIKeyQZTHYTWDYHTIKM-UHFFFAOYSA-N
XLogP-1.48
TPSA83.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine (CID 67951233) is 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine is CC(OCCN1CCN(CCN)CC1)OCCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
The InChIKey is QZTHYTWDYHTIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N6O2/c1-18(25-16-14-23-10-6-21(4-2-19)7-11-23)26-17-15-24-12-8-22(5-3-20)9-13-24/h18H,2-17,19-20H2,1H3.
What are the key properties of 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine?
2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine has a molecular weight of 372.56 g/mol, XLogP of -1.48, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 67951233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).