5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine

C17H36N2 — CID 115327069

IUPAC5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCCCC(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2/c1-7-17(6)13-19(11-9-8-10-14(2)3)16(12-18-17)15(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyYGQHZPXBALRSIT-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds7

About 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine (PubChem CID 115327069) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
PubChem CID115327069
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(CCCCC(C)C)C(C(C)C)CN1
InChIInChI=1S/C17H36N2/c1-7-17(6)13-19(11-9-8-10-14(2)3)16(12-18-17)15(4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyYGQHZPXBALRSIT-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

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-(3-fluoropropyl)-5-methyl-2-propan-2-ylpiperazine
CID 81113589
5-ethyl-1-(4-methoxybutyl)-5-methyl-2-propan-2-ylpiperazine
CID 64947304
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842
5-ethyl-5-methyl-2-propan-2-yl-1-(3-propoxypropyl)piperazine
CID 82947083
5-ethyl-5-methyl-1-(2-methylsulfanylethyl)-2-propan-2-ylpiperazine
CID 64940459
9-(5-methylhexyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 115327089
2-butan-2-yl-5-ethyl-1-heptyl-5-methylpiperazine
CID 64847163
2-cyclohexyl-5-ethyl-5-methyl-1-(4-methylpentyl)piperazine
CID 83148532
5-ethyl-5-methyl-1-[3-(oxolan-2-yl)propyl]-2-propan-2-ylpiperazine
CID 65170433
1-(cyclohexylmethyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64848291
1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64939876
5,5-diethyl-1-octyl-2-propan-2-ylpiperazine
CID 64860045

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine (CID 115327069) is 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine is CCC1(C)CN(CCCCC(C)C)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine?
The InChIKey is YGQHZPXBALRSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-17(6)13-19(11-9-8-10-14(2)3)16(12-18-17)15(4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine 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-5-methyl-1-(5-methylhexyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 115327069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).