2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine

C13H24N2 — CID 64940286

IUPAC2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine
SMILESC#CC(C)(C)N1CC(CCC)NCC1C
InChIInChI=1S/C13H24N2/c1-6-8-12-10-15(11(3)9-14-12)13(4,5)7-2/h2,11-12,14H,6,8-10H2,1,3-5H3
InChIKeyXLNFBNBSAOZYBH-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds3

About 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine

2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine (PubChem CID 64940286) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine
PubChem CID64940286
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine
SMILESC#CC(C)(C)N1CC(CCC)NCC1C
InChIInChI=1S/C13H24N2/c1-6-8-12-10-15(11(3)9-14-12)13(4,5)7-2/h2,11-12,14H,6,8-10H2,1,3-5H3
InChIKeyXLNFBNBSAOZYBH-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine?
The IUPAC name of 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine (CID 64940286) is 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine.
What is the SMILES notation for 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine?
The canonical SMILES for 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine is C#CC(C)(C)N1CC(CCC)NCC1C.
What is the InChIKey of 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine?
The InChIKey is XLNFBNBSAOZYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-8-12-10-15(11(3)9-14-12)13(4,5)7-2/h2,11-12,14H,6,8-10H2,1,3-5H3.
What are the key properties of 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine?
2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbut-3-yn-2-yl)-5-propylpiperazine is sourced from PubChem (CID 64940286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).