2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine

C17H36N2 — CID 115327036

IUPAC2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCCCC(C)C
InChIInChI=1S/C17H36N2/c1-6-17-12-18-16(11-15(4)5)13-19(17)10-8-7-9-14(2)3/h14-18H,6-13H2,1-5H3
InChIKeyLRJXTYYECQKUJD-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine

2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine (PubChem CID 115327036) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
PubChem CID115327036
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1CCCCC(C)C
InChIInChI=1S/C17H36N2/c1-6-17-12-18-16(11-15(4)5)13-19(17)10-8-7-9-14(2)3/h14-18H,6-13H2,1-5H3
InChIKeyLRJXTYYECQKUJD-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
2-ethyl-1-(3-ethylsulfonylpropyl)-5-(2-methylpropyl)piperazine
CID 65097214
5-(2-methylpropyl)-1-octyl-2-propylpiperazine
CID 64847186
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
5-cyclopropyl-2-ethyl-1-(5-methylhexyl)piperazine
CID 115327094
2-ethyl-1-(2-ethylbutyl)-5-(2-methylpropyl)piperazine
CID 82925413
1-(2,3-dimethylbutyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64941869
2-methyl-1-(4-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64939631
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
1-(2-tert-butylsulfonylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 106733055
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine (CID 115327036) is 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1CCCCC(C)C.
What is the InChIKey of 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine?
The InChIKey is LRJXTYYECQKUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-17-12-18-16(11-15(4)5)13-19(17)10-8-7-9-14(2)3/h14-18H,6-13H2,1-5H3.
What are the key properties of 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine?
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 115327036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).