2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine

C14H28N2 — CID 107901441

IUPAC2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
SMILESCCCC1CN(CC=C(C)C)C(CC)CN1
InChIInChI=1S/C14H28N2/c1-5-7-13-11-16(9-8-12(3)4)14(6-2)10-15-13/h8,13-15H,5-7,9-11H2,1-4H3
InChIKeySAVFVZBCFUDRBP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.81
Rot. Bonds5

About 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine

2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine (PubChem CID 107901441) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
PubChem CID107901441
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine
SMILESCCCC1CN(CC=C(C)C)C(CC)CN1
InChIInChI=1S/C14H28N2/c1-5-7-13-11-16(9-8-12(3)4)14(6-2)10-15-13/h8,13-15H,5-7,9-11H2,1-4H3
InChIKeySAVFVZBCFUDRBP-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
The IUPAC name of 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine (CID 107901441) is 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
The canonical SMILES for 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine is CCCC1CN(CC=C(C)C)C(CC)CN1.
What is the InChIKey of 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
The InChIKey is SAVFVZBCFUDRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-7-13-11-16(9-8-12(3)4)14(6-2)10-15-13/h8,13-15H,5-7,9-11H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine?
2-ethyl-1-(3-methylbut-2-enyl)-5-propylpiperazine has a molecular weight of 224.39 g/mol, XLogP of 2.81, 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-methylbut-2-enyl)-5-propylpiperazine is sourced from PubChem (CID 107901441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).