ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane

C17H40N2O — CID 142409418

IUPACethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane
SMILESCC.CCC(C)OC(C)(C)C.CCN1CCNCC1C
InChIInChI=1S/C8H18O.C7H16N2.C2H6/c1-6-7(2)9-8(3,4)5;1-3-9-5-4-8-6-7(9)2;1-2/h7H,6H2,1-5H3;7-8H,3-6H2,1-2H3;1-2H3
InChIKeyNOCNRGWKTJEMML-UHFFFAOYSA-N
MW288.52 g/mol
LogP3.93
Rot. Bonds3

About ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane

ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane (PubChem CID 142409418) has the molecular formula C17H40N2O and a molecular weight of 288.52 g/mol. Its IUPAC name is ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane.

Molecular Properties

Compound Nameethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane
PubChem CID142409418
Molecular FormulaC17H40N2O
Molecular Weight288.52 g/mol
Exact Mass288.31
IUPAC Nameethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane
SMILESCC.CCC(C)OC(C)(C)C.CCN1CCNCC1C
InChIInChI=1S/C8H18O.C7H16N2.C2H6/c1-6-7(2)9-8(3,4)5;1-3-9-5-4-8-6-7(9)2;1-2/h7H,6H2,1-5H3;7-8H,3-6H2,1-2H3;1-2H3
InChIKeyNOCNRGWKTJEMML-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane?
The IUPAC name of ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane (CID 142409418) is ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane.
What is the SMILES notation for ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane?
The canonical SMILES for ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane is CC.CCC(C)OC(C)(C)C.CCN1CCNCC1C.
What is the InChIKey of ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane?
The InChIKey is NOCNRGWKTJEMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C7H16N2.C2H6/c1-6-7(2)9-8(3,4)5;1-3-9-5-4-8-6-7(9)2;1-2/h7H,6H2,1-5H3;7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane?
ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane has a molecular weight of 288.52 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methylpiperazine;2-[(2-methylpropan-2-yl)oxy]butane is sourced from PubChem (CID 142409418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).