ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane

C15H36N2O — CID 166092530

IUPACethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane
SMILESCC.CCN1CCN(C)CC1.COCCC(C)C
InChIInChI=1S/C7H16N2.C6H14O.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6(2)4-5-7-3;1-2/h3-7H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyRTEKKAJURKDTSV-UHFFFAOYSA-N
MW260.47 g/mol
LogP2.96
Rot. Bonds4

About ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane

ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane (PubChem CID 166092530) has the molecular formula C15H36N2O and a molecular weight of 260.47 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane
PubChem CID166092530
Molecular FormulaC15H36N2O
Molecular Weight260.47 g/mol
Exact Mass260.28
IUPAC Nameethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane
SMILESCC.CCN1CCN(C)CC1.COCCC(C)C
InChIInChI=1S/C7H16N2.C6H14O.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6(2)4-5-7-3;1-2/h3-7H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyRTEKKAJURKDTSV-UHFFFAOYSA-N
XLogP2.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl-N'-n-butoxymethylpiperazin
CID 123756514
N,N'-bis(isobutyloxymethyl)piperazine
CID 129762540
2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 54515766
1,4-Dimethylpiperazine;methoxyethane;propane
CID 90960684
1-Methyl-4-[2-(2-methylbutoxy)ethyl]piperazine
CID 138739766
1-Methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 146757625
1-[2-(3-Methylbutoxy)ethyl]-4-propylpiperazine
CID 156242254
Ethane;1-ethyl-4-(3-methoxy-2-methylpropyl)piperazine;phosphane
CID 156721840
1-[2-(3-Methylbutoxy)ethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 162698189
Ethane;1-ethyl-4-methylpiperazine;4-methyloxane
CID 166092256
Ethane;1-methoxy-3-methylbutane;1-methylpiperazine
CID 166092386
ethane;1-methoxy-3-methylbutane;N,N,N',N'-tetramethylethane-1,2-diamine
CID 166093822

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane?
The IUPAC name of ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane (CID 166092530) is ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane.
What is the SMILES notation for ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane?
The canonical SMILES for ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane is CC.CCN1CCN(C)CC1.COCCC(C)C.
What is the InChIKey of ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane?
The InChIKey is RTEKKAJURKDTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C6H14O.C2H6/c1-3-9-6-4-8(2)5-7-9;1-6(2)4-5-7-3;1-2/h3-7H2,1-2H3;6H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane?
ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane has a molecular weight of 260.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpiperazine;1-methoxy-3-methylbutane is sourced from PubChem (CID 166092530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).