ethane;1-methylpiperazine

C7H18N2 — CID 91350928

IUPACethane;1-methylpiperazine
SMILESCC.CN1CCNCC1
InChIInChI=1S/C5H12N2.C2H6/c1-7-4-2-6-3-5-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeySSICOQSYDKZSHI-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.55
Rot. Bonds

About ethane;1-methylpiperazine

ethane;1-methylpiperazine (PubChem CID 91350928) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is ethane;1-methylpiperazine.

Molecular Properties

Compound Nameethane;1-methylpiperazine
PubChem CID91350928
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Nameethane;1-methylpiperazine
SMILESCC.CN1CCNCC1
InChIInChI=1S/C5H12N2.C2H6/c1-7-4-2-6-3-5-7;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeySSICOQSYDKZSHI-UHFFFAOYSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methane;1-methylpiperazine
CID 142051303
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
1-methylpiperazine;dihydrochloride
CID 2734715
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;hydrate
CID 23128681
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
CID 58730173
4,7-dimethyl-1,4,7,10-tetrazacyclotridecane
CID 152746949
1-methylpiperazine;bis(piperidine);pyrrolidine
CID 164970111

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpiperazine?
The IUPAC name of ethane;1-methylpiperazine (CID 91350928) is ethane;1-methylpiperazine.
What is the SMILES notation for ethane;1-methylpiperazine?
The canonical SMILES for ethane;1-methylpiperazine is CC.CN1CCNCC1.
What is the InChIKey of ethane;1-methylpiperazine?
The InChIKey is SSICOQSYDKZSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2H6/c1-7-4-2-6-3-5-7;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-methylpiperazine?
ethane;1-methylpiperazine has a molecular weight of 130.23 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperazine is sourced from PubChem (CID 91350928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).