1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine

C13H24N2 — CID 59304348

IUPAC1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine
SMILESCC(C)C#CC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H24N2/c1-12(2)6-7-13(3,4)15-10-8-14(5)9-11-15/h12H,8-11H2,1-5H3
InChIKeyYFUKXHBUXBGQCU-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.67
Rot. Bonds1

About 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine

1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine (PubChem CID 59304348) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine
PubChem CID59304348
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine
SMILESCC(C)C#CC(C)(C)N1CCN(C)CC1
InChIInChI=1S/C13H24N2/c1-12(2)6-7-13(3,4)15-10-8-14(5)9-11-15/h12H,8-11H2,1-5H3
InChIKeyYFUKXHBUXBGQCU-UHFFFAOYSA-N
XLogP1.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
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 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine (CID 59304348) is 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine is CC(C)C#CC(C)(C)N1CCN(C)CC1.
What is the InChIKey of 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine?
The InChIKey is YFUKXHBUXBGQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2)6-7-13(3,4)15-10-8-14(5)9-11-15/h12H,8-11H2,1-5H3.
What are the key properties of 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine?
1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine has a molecular weight of 208.35 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylhex-3-yn-2-yl)-4-methylpiperazine is sourced from PubChem (CID 59304348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).