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

C19H42N6O2 — CID 67951228

IUPAC2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine
SMILESCC(C)(OCCN1CCN(CCN)CC1)OCCN1CCN(CCN)CC1
InChIInChI=1S/C19H42N6O2/c1-19(2,26-17-15-24-11-7-22(5-3-20)8-12-24)27-18-16-25-13-9-23(6-4-21)10-14-25/h3-18,20-21H2,1-2H3
InChIKeyXWJCIYHTGYSJPE-UHFFFAOYSA-N
MW386.59 g/mol
LogP-1.09
Rot. Bonds12

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

2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine (PubChem CID 67951228) has the molecular formula C19H42N6O2 and a molecular weight of 386.59 g/mol. Its IUPAC name is 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine
PubChem CID67951228
Molecular FormulaC19H42N6O2
Molecular Weight386.59 g/mol
Exact Mass386.34
IUPAC Name2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine
SMILESCC(C)(OCCN1CCN(CCN)CC1)OCCN1CCN(CCN)CC1
InChIInChI=1S/C19H42N6O2/c1-19(2,26-17-15-24-11-7-22(5-3-20)8-12-24)27-18-16-25-13-9-23(6-4-21)10-14-25/h3-18,20-21H2,1-2H3
InChIKeyXWJCIYHTGYSJPE-UHFFFAOYSA-N
XLogP-1.09
TPSA83.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.59
LogP ≤ 5-1.09
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-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine (CID 67951228) is 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine is CC(C)(OCCN1CCN(CCN)CC1)OCCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine?
The InChIKey is XWJCIYHTGYSJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N6O2/c1-19(2,26-17-15-24-11-7-22(5-3-20)8-12-24)27-18-16-25-13-9-23(6-4-21)10-14-25/h3-18,20-21H2,1-2H3.
What are the key properties of 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine?
2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine has a molecular weight of 386.59 g/mol, XLogP of -1.09, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[2-[4-(2-aminoethyl)piperazin-1-yl]ethoxy]propan-2-yloxy]ethyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 67951228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).