2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine

C12H27N3O — CID 103032975

IUPAC2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine
SMILESCOC(C)(C)CCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3O/c1-12(2,16-3)4-6-14-8-10-15(7-5-13)11-9-14/h4-11,13H2,1-3H3
InChIKeyULIIJHBFFYCODX-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds6

About 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine

2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine (PubChem CID 103032975) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine
PubChem CID103032975
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine
SMILESCOC(C)(C)CCN1CCN(CCN)CC1
InChIInChI=1S/C12H27N3O/c1-12(2,16-3)4-6-14-8-10-15(7-5-13)11-9-14/h4-11,13H2,1-3H3
InChIKeyULIIJHBFFYCODX-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine (CID 103032975) is 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine is COC(C)(C)CCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine?
The InChIKey is ULIIJHBFFYCODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-12(2,16-3)4-6-14-8-10-15(7-5-13)11-9-14/h4-11,13H2,1-3H3.
What are the key properties of 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine?
2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine has a molecular weight of 229.37 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-3-methylbutyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 103032975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).