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

C13H32N2O — CID 166092386

IUPACethane;1-methoxy-3-methylbutane;1-methylpiperazine
SMILESCC.CN1CCNCC1.COCCC(C)C
InChIInChI=1S/C6H14O.C5H12N2.C2H6/c1-6(2)4-5-7-3;1-7-4-2-6-3-5-7;1-2/h6H,4-5H2,1-3H3;6H,2-5H2,1H3;1-2H3
InChIKeyBRSBRFRJVWYYMK-UHFFFAOYSA-N
MW232.41 g/mol
LogP2.23
Rot. Bonds3

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

ethane;1-methoxy-3-methylbutane;1-methylpiperazine (PubChem CID 166092386) has the molecular formula C13H32N2O and a molecular weight of 232.41 g/mol. Its IUPAC name is ethane;1-methoxy-3-methylbutane;1-methylpiperazine.

Molecular Properties

Compound Nameethane;1-methoxy-3-methylbutane;1-methylpiperazine
PubChem CID166092386
Molecular FormulaC13H32N2O
Molecular Weight232.41 g/mol
Exact Mass232.25
IUPAC Nameethane;1-methoxy-3-methylbutane;1-methylpiperazine
SMILESCC.CN1CCNCC1.COCCC(C)C
InChIInChI=1S/C6H14O.C5H12N2.C2H6/c1-6(2)4-5-7-3;1-7-4-2-6-3-5-7;1-2/h6H,4-5H2,1-3H3;6H,2-5H2,1H3;1-2H3
InChIKeyBRSBRFRJVWYYMK-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-Methylbutoxy)ethyl]piperazine
CID 20811786
1-(Propoxymethyl)piperazine
CID 21422164
1-(1-Methoxypropyl)piperazine
CID 59020794
1-[(2R)-3-methoxy-2-methylpropyl]piperazine
CID 68231257
1-(1-Methoxybutyl)piperazine
CID 70474988
1-(3-Methoxy-2-methylbutyl)piperazine
CID 123635138
1-[2-(2-Methylbutoxy)ethyl]piperazine
CID 135182416
4-Methyloxane;1-methylpiperazine
CID 142249356
N,2-dimethylpropan-1-amine;ethane;N-ethyl-2-morpholin-4-ylethanamine
CID 142615722
1-(2-Methylpropoxymethyl)piperazine
CID 145601159
1-(Butoxymethyl)piperazine
CID 154161534
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-1-amine;N-methylpropan-1-amine
CID 155707617

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3-methylbutane;1-methylpiperazine?
The IUPAC name of ethane;1-methoxy-3-methylbutane;1-methylpiperazine (CID 166092386) is ethane;1-methoxy-3-methylbutane;1-methylpiperazine.
What is the SMILES notation for ethane;1-methoxy-3-methylbutane;1-methylpiperazine?
The canonical SMILES for ethane;1-methoxy-3-methylbutane;1-methylpiperazine is CC.CN1CCNCC1.COCCC(C)C.
What is the InChIKey of ethane;1-methoxy-3-methylbutane;1-methylpiperazine?
The InChIKey is BRSBRFRJVWYYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H12N2.C2H6/c1-6(2)4-5-7-3;1-7-4-2-6-3-5-7;1-2/h6H,4-5H2,1-3H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-methoxy-3-methylbutane;1-methylpiperazine?
ethane;1-methoxy-3-methylbutane;1-methylpiperazine has a molecular weight of 232.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-methylbutane;1-methylpiperazine is sourced from PubChem (CID 166092386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).