2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine

C12H25N3O2 — CID 117170097

IUPAC2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine
SMILESCN1CCN(CCC2OCC(CCN)O2)CC1
InChIInChI=1S/C12H25N3O2/c1-14-6-8-15(9-7-14)5-3-12-16-10-11(17-12)2-4-13/h11-12H,2-10,13H2,1H3
InChIKeyWYKGCJBZGANMDV-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.29
Rot. Bonds5

About 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine

2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117170097) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine
PubChem CID117170097
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine
SMILESCN1CCN(CCC2OCC(CCN)O2)CC1
InChIInChI=1S/C12H25N3O2/c1-14-6-8-15(9-7-14)5-3-12-16-10-11(17-12)2-4-13/h11-12H,2-10,13H2,1H3
InChIKeyWYKGCJBZGANMDV-UHFFFAOYSA-N
XLogP-0.29
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine (CID 117170097) is 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine is CN1CCN(CCC2OCC(CCN)O2)CC1.
What is the InChIKey of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is WYKGCJBZGANMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-14-6-8-15(9-7-14)5-3-12-16-10-11(17-12)2-4-13/h11-12H,2-10,13H2,1H3.
What are the key properties of 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine?
2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117170097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).