2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine

C14H30N2 — CID 65043395

IUPAC2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1C(CC)(CC)CC
InChIInChI=1S/C14H30N2/c1-6-13-10-15-12(5)11-16(13)14(7-2,8-3)9-4/h12-13,15H,6-11H2,1-5H3
InChIKeyBPSOZGGGARRWDO-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds5

About 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine

2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine (PubChem CID 65043395) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine
PubChem CID65043395
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine
SMILESCCC1CNC(C)CN1C(CC)(CC)CC
InChIInChI=1S/C14H30N2/c1-6-13-10-15-12(5)11-16(13)14(7-2,8-3)9-4/h12-13,15H,6-11H2,1-5H3
InChIKeyBPSOZGGGARRWDO-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-ethylpentan-3-yl)-5-propylpiperazine
CID 65043639
(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
CID 96769528
1-(1-cyclohexylethyl)-2-ethyl-5-methylpiperazine
CID 64937210
3-(2-ethyl-5-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64936336
2-ethyl-5-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954867
2-ethyl-5-methyl-1-(2-methylcyclobutyl)piperazine
CID 130556507
2-ethyl-1-(3-fluoropropyl)-5-methylpiperazine
CID 81112995
1-[(E)-but-2-enyl]-2-ethyl-5-methylpiperazine
CID 107897884
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938399
2,5-diethyl-1-(2-methylbutan-2-yl)piperazine
CID 64931243
tert-butyl (2S)-2-ethyl-5-methylpiperazine-1-carboxylate
CID 175596184
2-ethyl-5-methyl-1-(1-methylpiperidin-4-yl)piperazine
CID 64937105

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine?
The IUPAC name of 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine (CID 65043395) is 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine is CCC1CNC(C)CN1C(CC)(CC)CC.
What is the InChIKey of 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine?
The InChIKey is BPSOZGGGARRWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-13-10-15-12(5)11-16(13)14(7-2,8-3)9-4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine?
2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine is sourced from PubChem (CID 65043395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).