1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C15H32N2 — CID 82924761

IUPAC1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCCC(CC)CN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C15H32N2/c1-7-13(8-2)10-17-11-15(5,6)16-9-14(17)12(3)4/h12-14,16H,7-11H2,1-6H3
InChIKeyVSNRZXQSZBEEIK-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 82924761) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID82924761
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCCC(CC)CN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C15H32N2/c1-7-13(8-2)10-17-11-15(5,6)16-9-14(17)12(3)4/h12-14,16H,7-11H2,1-6H3
InChIKeyVSNRZXQSZBEEIK-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 82924761) is 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine is CCC(CC)CN1CC(C)(C)NCC1C(C)C.
What is the InChIKey of 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is VSNRZXQSZBEEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-7-13(8-2)10-17-11-15(5,6)16-9-14(17)12(3)4/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 82924761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).