ethane;(2S)-1-ethyl-2-methylpiperazine

C9H22N2 — CID 154651366

IUPACethane;(2S)-1-ethyl-2-methylpiperazine
SMILESCC.CCN1CCNC[C@@H]1C
InChIInChI=1S/C7H16N2.C2H6/c1-3-9-5-4-8-6-7(9)2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/t7-;/m0./s1
InChIKeyNBPPKYMUCMMZKP-FJXQXJEOSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds1

About ethane;(2S)-1-ethyl-2-methylpiperazine

ethane;(2S)-1-ethyl-2-methylpiperazine (PubChem CID 154651366) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;(2S)-1-ethyl-2-methylpiperazine.

Molecular Properties

Compound Nameethane;(2S)-1-ethyl-2-methylpiperazine
PubChem CID154651366
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;(2S)-1-ethyl-2-methylpiperazine
SMILESCC.CCN1CCNC[C@@H]1C
InChIInChI=1S/C7H16N2.C2H6/c1-3-9-5-4-8-6-7(9)2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/t7-;/m0./s1
InChIKeyNBPPKYMUCMMZKP-FJXQXJEOSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-1-ethyl-2-methylpiperazine?
The IUPAC name of ethane;(2S)-1-ethyl-2-methylpiperazine (CID 154651366) is ethane;(2S)-1-ethyl-2-methylpiperazine.
What is the SMILES notation for ethane;(2S)-1-ethyl-2-methylpiperazine?
The canonical SMILES for ethane;(2S)-1-ethyl-2-methylpiperazine is CC.CCN1CCNC[C@@H]1C.
What is the InChIKey of ethane;(2S)-1-ethyl-2-methylpiperazine?
The InChIKey is NBPPKYMUCMMZKP-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-3-9-5-4-8-6-7(9)2;1-2/h7-8H,3-6H2,1-2H3;1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(2S)-1-ethyl-2-methylpiperazine?
ethane;(2S)-1-ethyl-2-methylpiperazine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1-ethyl-2-methylpiperazine is sourced from PubChem (CID 154651366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).