2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine

C14H30N2 — CID 64938399

IUPAC2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
SMILESCCC1CNC(C)CN1C(C)CCC(C)C
InChIInChI=1S/C14H30N2/c1-6-14-9-15-12(4)10-16(14)13(5)8-7-11(2)3/h11-15H,6-10H2,1-5H3
InChIKeyLYDXTQYYVKJVLU-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine

2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine (PubChem CID 64938399) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
PubChem CID64938399
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
SMILESCCC1CNC(C)CN1C(C)CCC(C)C
InChIInChI=1S/C14H30N2/c1-6-14-9-15-12(4)10-16(14)13(5)8-7-11(2)3/h11-15H,6-10H2,1-5H3
InChIKeyLYDXTQYYVKJVLU-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine?
The IUPAC name of 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine (CID 64938399) is 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine.
What is the SMILES notation for 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine?
The canonical SMILES for 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine is CCC1CNC(C)CN1C(C)CCC(C)C.
What is the InChIKey of 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine?
The InChIKey is LYDXTQYYVKJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-14-9-15-12(4)10-16(14)13(5)8-7-11(2)3/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine?
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine is sourced from PubChem (CID 64938399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).