5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine

C17H36N2 — CID 82924886

IUPAC5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCC(CC)CN1CC(C)(CC)NCC1CC(C)C
InChIInChI=1S/C17H36N2/c1-7-15(8-2)12-19-13-17(6,9-3)18-11-16(19)10-14(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyYKRODTDSSNQREO-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine

5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 82924886) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID82924886
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCCC(CC)CN1CC(C)(CC)NCC1CC(C)C
InChIInChI=1S/C17H36N2/c1-7-15(8-2)12-19-13-17(6,9-3)18-11-16(19)10-14(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyYKRODTDSSNQREO-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 52416411
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
2-(3,5-Dimethylpiperidin-1-yl)-2-methylpropan-1-amine
CID 24693214
1-(4-Methylpiperidin-1-yl)propan-2-amine
CID 12700153
Methyl[(piperidin-4-yl)methyl](propan-2-yl)amine
CID 16767853
3-Methyl-1-(piperidin-1-yl)butan-2-amine
CID 43199751
2-Cyclopropyl-1-methylpiperazine
CID 54518089
3-Cyclopropyl-1-methylpiperazine
CID 58803041

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine (CID 82924886) is 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine is CCC(CC)CN1CC(C)(CC)NCC1CC(C)C.
What is the InChIKey of 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is YKRODTDSSNQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-15(8-2)12-19-13-17(6,9-3)18-11-16(19)10-14(4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine?
5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-ethylbutyl)-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 82924886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).