ethane;(2S)-1,2,4-trimethylpiperazine

C9H22N2 — CID 90960926

IUPACethane;(2S)-1,2,4-trimethylpiperazine
SMILESCC.C[C@H]1CN(C)CCN1C
InChIInChI=1S/C7H16N2.C2H6/c1-7-6-8(2)4-5-9(7)3;1-2/h7H,4-6H2,1-3H3;1-2H3/t7-;/m0./s1
InChIKeyJYVYFJZPMPAMHR-FJXQXJEOSA-N
MW158.29 g/mol
LogP1.28
Rot. Bonds

About ethane;(2S)-1,2,4-trimethylpiperazine

ethane;(2S)-1,2,4-trimethylpiperazine (PubChem CID 90960926) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;(2S)-1,2,4-trimethylpiperazine.

Molecular Properties

Compound Nameethane;(2S)-1,2,4-trimethylpiperazine
PubChem CID90960926
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;(2S)-1,2,4-trimethylpiperazine
SMILESCC.C[C@H]1CN(C)CCN1C
InChIInChI=1S/C7H16N2.C2H6/c1-7-6-8(2)4-5-9(7)3;1-2/h7H,4-6H2,1-3H3;1-2H3/t7-;/m0./s1
InChIKeyJYVYFJZPMPAMHR-FJXQXJEOSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
CID 66908
1,2,4-Trimethylpiperazine
CID 98933
1,4-Diethylpiperazine
CID 80973
N,N'-Diisopropyl-N,N'-dimethyl-ethylenediamine
CID 469921
1,4-Diisopropylpiperazine
CID 204266
1-(4-Methylpiperazin-1-yl)propan-2-amine
CID 16643482
1-(Butan-2-yl)piperazine
CID 2735696
1,4-Piperazinediethanamine, alpha1,alpha4-dimethyl-
CID 20069559
1,1,4,4-Tetramethylpiperazine-1,4-diium
CID 81393
1,4-Piperazinediethanamine, beta,beta'-dimethyl-
CID 3086049
Piperazine, 1,4-diisopropyl-, dihydrochloride
CID 204265
2-(4-Methylpiperazin-1-yl)butan-1-amine
CID 16783170

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-1,2,4-trimethylpiperazine?
The IUPAC name of ethane;(2S)-1,2,4-trimethylpiperazine (CID 90960926) is ethane;(2S)-1,2,4-trimethylpiperazine.
What is the SMILES notation for ethane;(2S)-1,2,4-trimethylpiperazine?
The canonical SMILES for ethane;(2S)-1,2,4-trimethylpiperazine is CC.C[C@H]1CN(C)CCN1C.
What is the InChIKey of ethane;(2S)-1,2,4-trimethylpiperazine?
The InChIKey is JYVYFJZPMPAMHR-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-7-6-8(2)4-5-9(7)3;1-2/h7H,4-6H2,1-3H3;1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(2S)-1,2,4-trimethylpiperazine?
ethane;(2S)-1,2,4-trimethylpiperazine has a molecular weight of 158.29 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-1,2,4-trimethylpiperazine is sourced from PubChem (CID 90960926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).