2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine

C19H40N2 — CID 64849270

IUPAC2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine
SMILESCCCCC(CC)CN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C19H40N2/c1-8-11-12-16(9-2)14-21-15-19(7,10-3)20-13-17(21)18(4,5)6/h16-17,20H,8-15H2,1-7H3
InChIKeyYADMKKYBRGEYMY-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.69
Rot. Bonds7

About 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine

2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine (PubChem CID 64849270) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine.

Molecular Properties

Compound Name2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine
PubChem CID64849270
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine
SMILESCCCCC(CC)CN1CC(C)(CC)NCC1C(C)(C)C
InChIInChI=1S/C19H40N2/c1-8-11-12-16(9-2)14-21-15-19(7,10-3)20-13-17(21)18(4,5)6/h16-17,20H,8-15H2,1-7H3
InChIKeyYADMKKYBRGEYMY-UHFFFAOYSA-N
XLogP4.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine?
The IUPAC name of 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine (CID 64849270) is 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine.
What is the SMILES notation for 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine?
The canonical SMILES for 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine is CCCCC(CC)CN1CC(C)(CC)NCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine?
The InChIKey is YADMKKYBRGEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-8-11-12-16(9-2)14-21-15-19(7,10-3)20-13-17(21)18(4,5)6/h16-17,20H,8-15H2,1-7H3.
What are the key properties of 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine?
2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine has a molecular weight of 296.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-ethyl-1-(2-ethylhexyl)-5-methylpiperazine is sourced from PubChem (CID 64849270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).